untitled.cdx
csChFnd80/05221716182D

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M  END
>  <Mol_ID> (1)
3

>  <Formula> (1)
C21H18FN5O

>  <MolWeight> (1)
375.3989232

>  <Item Name> (1)
Linifanib (ABT-869)

>  <Catalog Number> (1)
S1003

>  <Synonyms> (1)
AL-39324

>  <Target> (1)
PDGFR, VEGFR

>  <Form> (1)
Free Base

>  <URL> (1)
http://www.selleckchem.com/products/ABT-869.html

>  <CAS Number> (1)
796967-16-3

>  <ALogP> (1)
4.169

>  <HBA_Count> (1)
2

>  <HBD_Count> (1)
4

>  <Num_RotatableBonds> (1)
3

$$$$
untitled.cdx
csChFnd80/05221716182D

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M  END
>  <Mol_ID> (2)
5

>  <Formula> (2)
C22H18N4OS

>  <MolWeight> (2)
386.46952

>  <Item Name> (2)
Axitinib

>  <Catalog Number> (2)
S1005

>  <Synonyms> (2)
AG 013736

>  <Target> (2)
VEGFR, PDGFR, c-Kit

>  <Form> (2)
Free Base

>  <URL> (2)
http://www.selleckchem.com/products/Axitinib.html

>  <CAS Number> (2)
319460-85-0

>  <ALogP> (2)
4.492

>  <HBA_Count> (2)
3

>  <HBD_Count> (2)
2

>  <Num_RotatableBonds> (2)
5

>  <Name> (2)
untitled.cdx

$$$$
untitled.cdx
csChFnd80/05221716182D

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M  END
>  <Mol_ID> (3)
6

>  <Formula> (3)
C27H32ClN5O5

>  <MolWeight> (3)
542.02648

>  <Item Name> (3)
Saracatinib (AZD0530)

>  <Catalog Number> (3)
S1006

>  <Synonyms> (3)
N/A

>  <Target> (3)
Src, Bcr-Abl

>  <Form> (3)
Free Base

>  <URL> (3)
http://www.selleckchem.com/products/AZD0530.html

>  <CAS Number> (3)
379231-04-6

>  <ALogP> (3)
3.814

>  <HBA_Count> (3)
7

>  <HBD_Count> (3)
1

>  <Num_RotatableBonds> (3)
8

>  <Name> (3)
untitled.cdx

$$$$
untitled.cdx
csChFnd80/05221716182D

 40 44  0  0  0  0  0  0  0  0999 V2000
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8

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Nintedanib (BIBF 1120)

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N/A

>  <Target> (4)
VEGFR, PDGFR, FGFR

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Free Base

>  <URL> (4)
http://www.selleckchem.com/products/BIBF1120.html

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656247-17-5

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untitled.cdx

$$$$
Bosutinib (SKI-606).cdx
csChFnd80/05221716182D

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>  <Mol_ID> (5)
9

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>  <MolWeight> (5)
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>  <Item Name> (5)
Bosutinib (SKI-606)

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S1014

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N/A

>  <Target> (5)
Src

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Free Base

>  <URL> (5)
http://www.selleckchem.com/products/Bosutinib.html

>  <CAS Number> (5)
380843-75-4

>  <ALogP> (5)
4.883

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4

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1

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9

>  <Name> (5)
Bosutinib (SKI-606).cdx

$$$$
untitled.cdx
csChFnd80/05221716182D

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>  <Mol_ID> (6)
10

>  <Formula> (6)
C25H27FN4O3

>  <MolWeight> (6)
450.5052832

>  <Item Name> (6)
Cediranib (AZD2171)

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S1017

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Recentin

>  <Target> (6)
VEGFR, Flt

>  <Form> (6)
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>  <URL> (6)
http://www.selleckchem.com/products/Cediranib.html

>  <CAS Number> (6)
288383-20-0

>  <ALogP> (6)
4.761

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5

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1

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8

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untitled.cdx

$$$$
Dasatinib.cdx
csChFnd80/05221716182D

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>  <Mol_ID> (7)
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Dasatinib (BMS-354825)

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Src, Bcr-Abl, c-Kit

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302962-49-8

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Dasatinib.cdx

$$$$

csChFnd80/05221716182D

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CHIR-258

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c-Kit, FGFR, Flt, VEGFR, PDGFR

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Citrate

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405169-16-6

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14

>  <Formula> (9)
C22H24ClFN4O3

>  <MolWeight> (9)
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>  <Item Name> (9)
Gefitinib (ZD1839)

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S1025

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ZD-1839

>  <Target> (9)
EGFR

>  <Form> (9)
Free Base

>  <URL> (9)
http://www.selleckchem.com/products/Gefitinib.html

>  <CAS Number> (9)
184475-35-2

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4.203

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untitled.cdx

$$$$
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15

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>  <Item Name> (10)
Imatinib Mesylate (STI571)

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>  <Synonyms> (10)
Glivec, CGP-57148B, STI-571

>  <Target> (10)
PDGFR, c-Kit, Bcr-Abl

>  <Form> (10)
Mesylate

>  <URL> (10)
http://www.selleckchem.com/products/Imatinib-Mesylate.html

>  <CAS Number> (10)
220127-57-1

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3.806

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Imatinib Mesylate.cdx

$$$$
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>  <Mol_ID> (11)
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C43H42ClFN4O10S3

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Lapatinib (GW-572016) Ditosylate

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GW-57201

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EGFR, HER2

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Ditosylat

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http://www.selleckchem.com/products/Lapatinib-Ditosylate.html

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388082-77-7

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9.339

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Lapatinib Ditosylate.cdx

$$$$
Motesanib Diphosphate(AMG-706).cdx
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>  <Mol_ID> (12)
19

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C22H29N5O9P2

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Motesanib Diphosphate (AMG-706)

>  <Catalog Number> (12)
S1032

>  <Synonyms> (12)
AMG-706

>  <Target> (12)
VEGFR, PDGFR, c-Kit

>  <Form> (12)
Diphosphate

>  <URL> (12)
http://www.selleckchem.com/products/Motesanib-Diphosphate.html

>  <CAS Number> (12)
857876-30-3

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1.783

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3

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3

>  <Num_RotatableBonds> (12)
5

>  <Name> (12)
Motesanib Diphosphate(AMG-706).cdx

$$$$
untitled.cdx
csChFnd80/05221716182D

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20

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Nilotinib (AMN-107)

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Tasigna

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Bcr-Abl

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Free Base

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http://www.selleckchem.com/products/Nilotinib.html

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641571-10-0

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5.084

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untitled.cdx

$$$$
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M  END
>  <Mol_ID> (14)
21

>  <Formula> (14)
C21H24ClN7O2S

>  <MolWeight> (14)
473.97896

>  <Item Name> (14)
Pazopanib HCl

>  <Catalog Number> (14)
S1035

>  <Synonyms> (14)
GW786034

>  <Target> (14)
VEGFR, PDGFR, c-Kit

>  <Form> (14)
Hydrochloride

>  <URL> (14)
http://www.selleckchem.com/products/Pazopanib-Hydrochloride.html

>  <CAS Number> (14)
635702-64-6

>  <ALogP> (14)
4.123

>  <HBA_Count> (14)
5

>  <HBD_Count> (14)
2

>  <Num_RotatableBonds> (14)
5

>  <Name> (14)
untitled.cdx

$$$$

csChFnd80/05221716182D

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M  END
>  <Mol_ID> (15)
28

>  <Formula> (15)
C26H33FN4O7

>  <MolWeight> (15)
532.5612232

>  <Item Name> (15)
Sunitinib Malate (Sutent)

>  <Catalog Number> (15)
S1042

>  <Synonyms> (15)
SU-11248

>  <Target> (15)
VEGFR, PDGFR, c-Kit, Flt

>  <Form> (15)
Malate

>  <URL> (15)
http://www.selleckchem.com/products/Sunitinib-Malate-(Sutent).html

>  <CAS Number> (15)
341031-54-7

>  <ALogP> (15)
-1.049

>  <HBA_Count> (15)
4

>  <HBD_Count> (15)
4

>  <Num_RotatableBonds> (15)
10

$$$$
untitled.cdx
csChFnd80/05221716182D

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M  END
>  <Mol_ID> (16)
40

>  <Formula> (16)
C28H30N6OS

>  <MolWeight> (16)
498.6424

>  <Item Name> (16)
Masitinib (AB1010)

>  <Catalog Number> (16)
S1064

>  <Synonyms> (16)
N/A

>  <Target> (16)
c-Kit, PDGFR, FGFR, FAK

>  <Form> (16)
Free Base

>  <URL> (16)
http://www.selleckchem.com/products/Masitinib-(AB1010).html

>  <CAS Number> (16)
790299-79-5

>  <ALogP> (16)
4.475

>  <HBA_Count> (16)
3

>  <HBD_Count> (16)
2

>  <Num_RotatableBonds> (16)
7

>  <Name> (16)
untitled.cdx

$$$$
untitled.cdx
csChFnd80/05221716182D

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49

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SU11274

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S1080

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PKI-SU11274

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c-Met

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Free Base

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http://www.selleckchem.com/products/SU11274.html

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658084-23-2

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untitled.cdx

$$$$
Brivanib.cdx
csChFnd80/05221716182D

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51

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>  <Item Name> (18)
Brivanib (BMS-540215)

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S1084

>  <Synonyms> (18)
N/A

>  <Target> (18)
VEGFR, FGFR

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Free Base

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http://www.selleckchem.com/products/Brivanib.html

>  <CAS Number> (18)
649735-46-6

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3.481

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4

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2

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5

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Brivanib.cdx

$$$$
untitled.cdx
csChFnd80/05221716182D

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>  <Mol_ID> (19)
56

>  <Formula> (19)
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>  <MolWeight> (19)
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IGF-1R

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http://www.selleckchem.com/products/GSK1904529A.html

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1089283-49-7

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untitled.cdx

$$$$
untitled.cdx
csChFnd80/05221716182D

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untitled.cdx

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (21)
61

>  <Formula> (21)
C20H17Cl3N4

>  <MolWeight> (21)
419.73478

>  <Item Name> (21)
Vatalanib (PTK787) 2HCl

>  <Catalog Number> (21)
S1101

>  <Synonyms> (21)
ZK222584

>  <Target> (21)
VEGFR, c-Kit, Flt

>  <Form> (21)
Dihydrochloride

>  <URL> (21)
http://www.selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

>  <CAS Number> (21)
212141-51-0

>  <ALogP> (21)
5.469

>  <HBA_Count> (21)
3

>  <HBD_Count> (21)
1

>  <Num_RotatableBonds> (21)
4

>  <Name> (21)
untitled.cdx

$$$$
1.cdx
csChFnd80/05221716182D

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M  END
>  <Mol_ID> (22)
72

>  <Formula> (22)
C34H34F2N4O6

>  <MolWeight> (22)
632.6537664

>  <Item Name> (22)
Foretinib (GSK1363089, XL880)

>  <Catalog Number> (22)
S1111

>  <Synonyms> (22)
N/A

>  <Target> (22)
c-Met, VEGFR

>  <Form> (22)
Free Base

>  <URL> (22)
http://www.selleckchem.com/products/XL880(GSK1363089,EXEL-2880).html

>  <CAS Number> (22)
849217-64-7

>  <ALogP> (22)
4.437

>  <HBA_Count> (22)
7

>  <HBD_Count> (22)
2

>  <Num_RotatableBonds> (22)
12

>  <Name> (22)
1.cdx

$$$$
untitled.cdx
csChFnd80/05221716182D

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M  END
>  <Mol_ID> (23)
74

>  <Formula> (23)
C19H13F2N7

>  <MolWeight> (23)
377.3502264

>  <Item Name> (23)
JNJ-38877605

>  <Catalog Number> (23)
S1114

>  <Synonyms> (23)
N/A

>  <Target> (23)
c-Met

>  <Form> (23)
Free Base

>  <URL> (23)
http://www.selleckchem.com/products/JNJ-38877605.html

>  <CAS Number> (23)
943540-75-8

>  <ALogP> (23)
3.052

>  <HBA_Count> (23)
5

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0

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3

>  <Name> (23)
untitled.cdx

$$$$
XL-184 free base.cdx
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M  END
>  <Mol_ID> (24)
82

>  <Formula> (24)
C28H24FN3O5

>  <MolWeight> (24)
501.5056632

>  <Item Name> (24)
Cabozantinib (XL184, BMS-907351)

>  <Catalog Number> (24)
S1119

>  <Synonyms> (24)
BMS-907351

>  <Target> (24)
VEGFR, c-Met, Flt, Tie-2, c-Kit

>  <Form> (24)
Free Base

>  <URL> (24)
http://www.selleckchem.com/products/XL184.html

>  <CAS Number> (24)
849217-68-1

>  <ALogP> (24)
4.342

>  <HBA_Count> (24)
6

>  <HBD_Count> (24)
2

>  <Num_RotatableBonds> (24)
8

>  <Name> (24)
XL-184 free base.cdx

$$$$

csChFnd80/05221716182D

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M  END
>  <Mol_ID> (25)
87

>  <Formula> (25)
C22H24FN5O4

>  <MolWeight> (25)
441.4554632

>  <Item Name> (25)
Brivanib alaninate (BMS-582664)

>  <Catalog Number> (25)
S1138

>  <Synonyms> (25)
N/A

>  <Target> (25)
VEGFR, FGFR

>  <Form> (25)
Alaninate

>  <URL> (25)
http://www.selleckchem.com/products/Brivanib-alaninate.html

>  <CAS Number> (25)
649735-63-7

>  <ALogP> (25)
3.383

>  <HBA_Count> (25)
6

>  <HBD_Count> (25)
2

>  <Num_RotatableBonds> (25)
8

$$$$
AG-490.cdx
csChFnd80/05221716182D

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M  END
>  <Mol_ID> (26)
89

>  <Formula> (26)
C17H14N2O3

>  <MolWeight> (26)
294.30466

>  <Item Name> (26)
AG-490 (Tyrphostin B42)

>  <Catalog Number> (26)
S1143

>  <Synonyms> (26)
N/A

>  <Target> (26)
JAK, EGFR

>  <Form> (26)
Free Base

>  <URL> (26)
http://www.selleckchem.com/products/AG-490.html

>  <CAS Number> (26)
133550-30-8

>  <ALogP> (26)
2.444

>  <HBA_Count> (26)
1

>  <HBD_Count> (26)
3

>  <Num_RotatableBonds> (26)
4

>  <Name> (26)
AG-490.cdx

$$$$
CP-724,714.cdx
csChFnd80/05221716182D

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M  END
>  <Mol_ID> (27)
101

>  <Formula> (27)
C27H27N5O3

>  <MolWeight> (27)
469.53498

>  <Item Name> (27)
CP-724714

>  <Catalog Number> (27)
S1167

>  <Synonyms> (27)
N/A

>  <Target> (27)
EGFR, HER2

>  <Form> (27)
Free Base

>  <URL> (27)
http://www.selleckchem.com/products/CP-724714.html

>  <CAS Number> (27)
537705-08-1

>  <ALogP> (27)
3.987

>  <HBA_Count> (27)
6

>  <HBD_Count> (27)
2

>  <Num_RotatableBonds> (27)
9

>  <Name> (27)
CP-724,714.cdx

$$$$
WZ3146.cdx
csChFnd80/05221716182D

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Flt, Aurora Kinase, VEGFR

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Tartaric Acid

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934353-76-1

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ENMD-2076.cdx

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VEGFR, c-Kit, PDGFR

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AV-951.cdx

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c-Kit, VEGFR

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OSI-930.cdx

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FGFR, VEGFR

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csChFnd80/05221716182D

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Topoisomerase
EGFR

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Free Base

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446-72-0

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Genistein.cdx

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KI8751.cdx

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NS-187

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Bcr-Abl

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Free Base

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859212-16-1

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Bafetinib.cdx

$$$$
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Pelitinib (EKB-569)

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EGFR

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Pelitinib.cdx

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VDA

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VEGFR, PDGFR

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VEGFR

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N/A

>  <Target> (57)
VEGFR, Src, Raf, Bcr-Abl

>  <Form> (57)
Free Base

>  <URL> (57)
http://www.selleckchem.com/products/NVP-BHG712.html

>  <CAS Number> (57)
940310-85-0

>  <ALogP> (57)
4.871

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NVP-BHG712.cdx

$$$$
OSI 420.cdx
csChFnd80/05221716182D

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>  <Mol_ID> (58)
596

>  <Formula> (58)
C21H22ClN3O4

>  <MolWeight> (58)
415.87008

>  <Item Name> (58)
OSI-420 (Desmethyl Erlotinib)

>  <Catalog Number> (58)
S2205

>  <Synonyms> (58)
CP-473420

>  <Target> (58)
EGFR

>  <Form> (58)
Hydrochloride

>  <URL> (58)
http://www.selleckchem.com/products/OSI-420-Desmethyl-Erlotinib,CP-473420.html

>  <CAS Number> (58)
183320-51-6

>  <ALogP> (58)
4.283

>  <HBA_Count> (58)
5

>  <HBD_Count> (58)
2

>  <Num_RotatableBonds> (58)
9

>  <Name> (58)
OSI 420.cdx

$$$$
Mubritinib.cdx
csChFnd80/05221716182D

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>  <Mol_ID> (59)
601

>  <Formula> (59)
C25H23F3N4O2

>  <MolWeight> (59)
468.4709296

>  <Item Name> (59)
Mubritinib (TAK 165)

>  <Catalog Number> (59)
S2216

>  <Synonyms> (59)
TAK 165, TAK165

>  <Target> (59)
HER2

>  <Form> (59)
Free Base

>  <URL> (59)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

>  <CAS Number> (59)
366017-09-6

>  <ALogP> (59)
5.844

>  <HBA_Count> (59)
5

>  <HBD_Count> (59)
0

>  <Num_RotatableBonds> (59)
11

>  <Name> (59)
Mubritinib.cdx

$$$$
Chrysophanic acid.cdx
csChFnd80/05221716182D

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>  <Mol_ID> (60)
682

>  <Formula> (60)
C15H10O4

>  <MolWeight> (60)
254.2375

>  <Item Name> (60)
Chrysophanic acid (Chrysophanol)

>  <Catalog Number> (60)
S2406

>  <Synonyms> (60)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (60)
EGFR, mTOR

>  <Form> (60)
Free Base

>  <URL> (60)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

>  <CAS Number> (60)
481-74-3

>  <ALogP> (60)
2.81

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2

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2

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0

>  <Name> (60)
Chrysophanic acid.cdx

$$$$
PCI-32765.cdx
csChFnd80/05221716182D

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>  <Mol_ID> (61)
706

>  <Formula> (61)
C25H24N6O2

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440.49706

>  <Item Name> (61)
PCI-32765 (Ibrutinib)

>  <Catalog Number> (61)
S2680

>  <Synonyms> (61)
N/A

>  <Target> (61)
Src

>  <Form> (61)
Free Base

>  <URL> (61)
http://www.selleckchem.com/products/pci-32765.html

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936563-96-1

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>  <Name> (61)
PCI-32765.cdx

$$$$
Telatinib (BAY 57-9352).cdx
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IGF-1, ALK

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Free Base

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1116235-97-2

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EGFR

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1110813-31-4

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PF299804.cdx

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PDGFR

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M  END
>  <Mol_ID> (80)
977

>  <Formula> (80)
C27H33FN6O7

>  <MolWeight> (80)
572.5853232

>  <Item Name> (80)
Dovitinib Dilactic acid (TKI258 Dilactic aci

>  <Catalog Number> (80)
S2769

>  <Synonyms> (80)
CHIR-258 Dilactic acid

>  <Target> (80)
Flt, FGFR, PDGFR, VEGFR, c-Kit

>  <Form> (80)
Dilactic Acid

>  <URL> (80)
http://www.selleckchem.com/products/dovitinib.html

>  <CAS Number> (80)
852433-84-2

>  <ALogP> (80)
-2.038

>  <HBA_Count> (80)
4

>  <HBD_Count> (80)
5

>  <Num_RotatableBonds> (80)
4

$$$$
AST-1306.cdx
csChFnd80/05221716182D

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M  END
>  <Mol_ID> (81)
978

>  <Formula> (81)
C31H26ClFN4O5S

>  <MolWeight> (81)
621.0783432

>  <Item Name> (81)
AST-1306

>  <Catalog Number> (81)
S2185

>  <Synonyms> (81)
N/A

>  <Target> (81)
EGFR

>  <Form> (81)
Mesylate

>  <URL> (81)
http://www.selleckchem.com/products/ast-1306.html

>  <CAS Number> (81)
1050500-29-2

>  <ALogP> (81)
7.381

>  <HBA_Count> (81)
4

>  <HBD_Count> (81)
2

>  <Num_RotatableBonds> (81)
8

>  <Name> (81)
AST-1306.cdx

$$$$
MK-2461.cdx
csChFnd80/05221716182D

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M  END
>  <Mol_ID> (82)
982

>  <Formula> (82)
C24H25N5O5S

>  <MolWeight> (82)
495.5508

>  <Item Name> (82)
MK-2461

>  <Catalog Number> (82)
S2774

>  <Synonyms> (82)
N/A

>  <Target> (82)
c-Met, FGFR, PDGFR

>  <Form> (82)
Free Base

>  <URL> (82)
http://www.selleckchem.com/products/mk-2461.html

>  <CAS Number> (82)
917879-39-1

>  <ALogP> (82)
0.924

>  <HBA_Count> (82)
7

>  <HBD_Count> (82)
1

>  <Num_RotatableBonds> (82)
6

>  <Name> (82)
MK-2461.cdx

$$$$
TAK-285.cdx
csChFnd80/05221716182D

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ZM323881 HCl.cdx

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VEGFR

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   12.0414    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8290    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5544    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
  2 11  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
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 23 24  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 21 29  2  0  0  0  0
 24 29  1  0  0  0  0
 23 30  1  0  0  0  0
 22 31  1  0  0  0  0
 19 27  1  0  0  0  0
 15 19  1  0  0  0  0
 12 13  1  0  0  0  0
  5 12  1  0  0  0  0
M  END
>  <Mol_ID> (100)
1242

>  <Formula> (100)
C21H23N7O2S

>  <MolWeight> (100)
437.51802

>  <Item Name> (100)
Pazopanib

>  <Catalog Number> (100)
S3012

>  <Synonyms> (100)
N/A

>  <Target> (100)
VEGFR

>  <Form> (100)
Free Base

>  <URL> (100)
http://www.selleckchem.com/products/pazopanib.html

>  <CAS Number> (100)
444731-52-6

>  <ALogP> (100)
3.741

>  <HBA_Count> (100)
5

>  <HBD_Count> (100)
2

>  <Num_RotatableBonds> (100)
5

>  <Name> (100)
Pazopanib.cdx

$$$$
GNF-2.cdx
csChFnd80/05221716182D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.0927    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3927    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    4.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2878    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3879    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6879    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4854    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5854    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8854    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4854    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9854    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6830    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3830    6.0538    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.4748    5.5389    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.8912    4.1438    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (101)
1258

>  <Formula> (101)
C18H13F3N4O2

>  <MolWeight> (101)
374.3166296

>  <Item Name> (101)
GNF-2

>  <Catalog Number> (101)
S2899

>  <Synonyms> (101)
N/A

>  <Target> (101)
Bcr-Abl

>  <Form> (101)
Free Base

>  <URL> (101)
http://www.selleckchem.com/products/gnf-2.html

>  <CAS Number> (101)
778270-11-4

>  <ALogP> (101)
5.209

>  <HBA_Count> (101)
4

>  <HBD_Count> (101)
2

>  <Num_RotatableBonds> (101)
6

>  <Name> (101)
GNF-2.cdx

$$$$
PQ 401.cdx
csChFnd80/05221716182D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.0588    4.1953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    4.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    6.2880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6423    4.1953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    0.0002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8517    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6423    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    2.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2154    2.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020    2.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0575    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670    4.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    4.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6919    4.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6919    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    6.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    8.3880    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    2.7977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6877    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  5 14  2  0  0  0  0
  9 14  1  0  0  0  0
  6 15  1  0  0  0  0
  4  8  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (102)
1259

>  <Formula> (102)
C18H16ClN3O2

>  <MolWeight> (102)
341.79154

>  <Item Name> (102)
PQ 401

>  <Catalog Number> (102)
S8003

>  <Synonyms> (102)
N/A

>  <Target> (102)
IGF-1R

>  <Form> (102)
Free Base

>  <URL> (102)
http://www.selleckchem.com/products/pq-401.html

>  <CAS Number> (102)
196868-63-0

>  <ALogP> (102)
3.639

>  <HBA_Count> (102)
3

>  <HBD_Count> (102)
2

>  <Num_RotatableBonds> (102)
3

>  <Name> (102)
PQ 401.cdx

$$$$
AG 18.cdx
csChFnd80/05221716182D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  3  0  0  0  0
  9 13  3  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (103)
1270

>  <Formula> (103)
C10H6N2O2

>  <MolWeight> (103)
186.16684

>  <Item Name> (103)
AG 18 (Tyrphostin 23)

>  <Catalog Number> (103)
S8009

>  <Synonyms> (103)
RG-50810

>  <Target> (103)
EGFR

>  <Form> (103)
Free Base

>  <URL> (103)
http://www.selleckchem.com/products/ag-18-tyrphostin-23.html

>  <CAS Number> (103)
118409-57-7

>  <ALogP> (103)
1.531

>  <HBA_Count> (103)
0

>  <HBD_Count> (103)
2

>  <Num_RotatableBonds> (103)
1

>  <Name> (103)
AG 18.cdx

$$$$
OSI-906.cdx
csChFnd80/05221716182D

 32 37  0  0  0  0  0  0  0  0999 V2000
    5.3092    8.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3092    6.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5216    6.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7340    6.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7340    8.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5216    8.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9465    6.1165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1589    6.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1589    8.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9465    8.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3671    6.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3671    4.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5796    4.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7920    4.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7920    6.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5796    6.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1009    6.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8220    6.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8852    5.6480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5852    4.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9546    4.7266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1220    7.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7220    7.9008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7220    5.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8195    9.1090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0177    3.1610    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7107    2.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000    0.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5748    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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 11 12  2  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
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 25 19  1  0  0  0  0
 22 26  1  0  0  0  0
 27 20  1  6  0  0  0
 27 28  1  0  0  0  0
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IGF-1R

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ALK

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PDGFR

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$$$$
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csChFnd80/05221716182D

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flt-3 inhibitor I(TCS 359).cdx

$$$$
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csChFnd80/05221716182D

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1286

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C32H30FN3O10

>  <MolWeight> (108)
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>  <Item Name> (108)
Cabozantinib malate

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S4001

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N/A

>  <Target> (108)
VEGFR

>  <Form> (108)
Malate

>  <URL> (108)
http://www.selleckchem.com/products/cabozantinib-malate.html

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1140909-48-3

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Cabozantinib£¨XL-184) malate.cdx

$$$$
GW2580.cdx
csChFnd80/05221716182D

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>  <Mol_ID> (109)
1366

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C20H22N4O3

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S8042

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N/A

>  <Target> (109)
CSF-1R

>  <Form> (109)
Free Base

>  <URL> (109)
http://www.selleckchem.com/products/gw2580.html

>  <CAS Number> (109)
870483-87-7

>  <ALogP> (109)
3.127

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5

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2

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7

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GW2580.cdx

$$$$
Butein.cdx
csChFnd80/05221716182D

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M  END
>  <Mol_ID> (110)
1377

>  <Formula> (110)
C15H12O5

>  <MolWeight> (110)
272.25278

>  <Item Name> (110)
Butein

>  <Catalog Number> (110)
S8036

>  <Synonyms> (110)
N/A

>  <Target> (110)
EGFR

>  <Form> (110)
Free Base

>  <URL> (110)
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>  <CAS Number> (110)
487-52-5

>  <ALogP> (110)
2.734

>  <HBA_Count> (110)
1

>  <HBD_Count> (110)
4

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3

>  <Name> (110)
Butein.cdx

$$$$
PP2.cdx
csChFnd80/05221716182D

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C15H16ClN5

>  <MolWeight> (111)
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Src

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>  <Name> (111)
PP2.cdx

$$$$
PD168393.cdx
csChFnd80/05221716182D

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>  <Mol_ID> (112)
1400

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C17H13BrN4O

>  <MolWeight> (112)
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>  <Item Name> (112)
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S7039

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>  <Target> (112)
EGFR

>  <Form> (112)
Free Base

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194423-15-9

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PD168393.cdx

$$$$
P505-15.cdx
csChFnd80/05221716182D

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Syk

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ALK

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EGFR

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FGFR

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Bcr-Abl

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PD173955 .cdx

$$$$
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mTOR

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221877-54-9

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Zotarolimus.cdx

$$$$
WH-4-023.cdx
csChFnd80/05221716182D

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EGFR

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JAK

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FGFR

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I¦ÊB/IKK

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196309-76-9

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LM-3146 BAY 11-7085.cdx

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/05221716182D

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JAK

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Hydrochloride

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1369761-01-2

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Cerdulatinib (PRT-062070).cdx

$$$$
PF-06463922.cdx
csChFnd80/05221716182D

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ALK

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PF-06463922.cdx

$$$$
S7668-Picropodophyllin (PPP).cdx
csChFnd80/05221716182D

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IGF-1R

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S7668-Picropodophyllin (PPP).cdx

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/05221716182D

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>  <Mol_ID> (142)
1968

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C23H21Cl2FN4O3

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>  <Item Name> (142)
Poziotinib (HM781-36B)

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S7358

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NOV120101

>  <Target> (142)
EGFR

>  <Form> (142)
Free Base

>  <URL> (142)
http://www.selleckchem.com/products/poziotinib-hm781-36b.html

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1092364-38-9

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5.046

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Poziotinib (HM781-36B, NOV120101).cdx

$$$$
LDC1267.cdx
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M  END
>  <Mol_ID> (143)
1987

>  <Formula> (143)
C30H26F2N4O5

>  <MolWeight> (143)
560.5480464

>  <Item Name> (143)
LDC1267

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S7638

>  <Synonyms> (143)
N/A

>  <Target> (143)
Axl

>  <Form> (143)
Free Base

>  <URL> (143)
http://www.selleckchem.com/products/ldc1267.html

>  <CAS Number> (143)
1361030-48-9

>  <ALogP> (143)
6.213

>  <HBA_Count> (143)
7

>  <HBD_Count> (143)
1

>  <Num_RotatableBonds> (143)
9

>  <Name> (143)
LDC1267.cdx

$$$$
BLZ945.cdx
csChFnd80/05221716182D

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M  END
>  <Mol_ID> (144)
1991

>  <Formula> (144)
C20H22N4O3S

>  <MolWeight> (144)
398.47868

>  <Item Name> (144)
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S7725

>  <Synonyms> (144)
N/A

>  <Target> (144)
CSF-1R

>  <Form> (144)
Free Base

>  <URL> (144)
http://www.selleckchem.com/products/blz945.html

>  <CAS Number> (144)
953769-46-5

>  <ALogP> (144)
3.201

>  <HBA_Count> (144)
4

>  <HBD_Count> (144)
3

>  <Num_RotatableBonds> (144)
5

>  <Name> (144)
BLZ945.cdx

$$$$
ANA-12.cdx
csChFnd80/05221716182D

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>  <Mol_ID> (145)
2003

>  <Formula> (145)
C22H21N3O3S

>  <MolWeight> (145)
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ANA-12

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S7745

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N/A

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Trk receptor

>  <Form> (145)
Free Base

>  <URL> (145)
http://www.selleckchem.com/products/ana-12.html

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219766-25-3

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$$$$
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>  <Mol_ID> (146)
2005

>  <Formula> (146)
C22H27FN4O2

>  <MolWeight> (146)
398.4737832

>  <Item Name> (146)
Sunitinib

>  <Catalog Number> (146)
S7781

>  <Synonyms> (146)
SU11248

>  <Target> (146)
PDGFR

>  <Form> (146)
Free Base

>  <URL> (146)
http://www.selleckchem.com/products/sunitinib.html

>  <CAS Number> (146)
557795-19-4

>  <ALogP> (146)
2.997

>  <HBA_Count> (146)
2

>  <HBD_Count> (146)
3

>  <Num_RotatableBonds> (146)
7

>  <Name> (146)
LM-3572.cdx

$$$$
Erlotinib free Base.cdx
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 10  5  1  0  0  0  0
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>  <Mol_ID> (147)
2007

>  <Formula> (147)
C22H23N3O4

>  <MolWeight> (147)
393.43572

>  <Item Name> (147)
Erlotinib

>  <Catalog Number> (147)
S7786

>  <Synonyms> (147)
CP358774, NSC 718781

>  <Target> (147)
EGFR

>  <Form> (147)
Free Base

>  <URL> (147)
http://www.selleckchem.com/products/erlotinib.html

>  <CAS Number> (147)
183321-74-6

>  <ALogP> (147)
4.309

>  <HBA_Count> (147)
6

>  <HBD_Count> (147)
1

>  <Num_RotatableBonds> (147)
10

>  <Name> (147)
Erlotinib free Base.cdx

$$$$
CL-387785.cdx
csChFnd80/05221716182D

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M  END
>  <Mol_ID> (148)
2008

>  <Formula> (148)
C18H13BrN4O

>  <MolWeight> (148)
381.22602

>  <Item Name> (148)
CL-387785 (EKI-785)

>  <Catalog Number> (148)
S7557

>  <Synonyms> (148)
N/A

>  <Target> (148)
EGFR

>  <Form> (148)
Free Base

>  <URL> (148)
http://www.selleckchem.com/products/cl-387785-eki-785.html

>  <CAS Number> (148)
194423-06-8

>  <ALogP> (148)
4.568

>  <HBA_Count> (148)
3

>  <HBD_Count> (148)
2

>  <Num_RotatableBonds> (148)
4

>  <Name> (148)
CL-387785.cdx

$$$$
PF-2341066.cdx
csChFnd80/05221716182D

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M  END
>  <Mol_ID> (149)
2009

>  <Formula> (149)
C21H22Cl2FN5O

>  <MolWeight> (149)
450.3366832

>  <Item Name> (149)
Crizotinib (PF-02341066)

>  <Catalog Number> (149)
S1068

>  <Synonyms> (149)
N/A

>  <Target> (149)
c-Met, ALK

>  <Form> (149)
Free Base

>  <URL> (149)
http://www.selleckchem.com/products/PF-2341066.html

>  <CAS Number> (149)
877399-52-5, 877399-53-6 (acetate)

>  <ALogP> (149)
3.693

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3

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2

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5

>  <Name> (149)
PF-2341066.cdx

$$$$
Afatinib dimaleate.cdx
csChFnd80/05221716182D

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ASP3026   structure.cdx

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EGFR

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$$$$
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csChFnd80/05221716182D

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Bcr-Abl

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Free Base

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Radotinib (IY-5511).cdx

$$$$
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csChFnd80/05221716182D

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BTK

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Acalabrutinib.cdx

$$$$
PRT-060318 (PRT318) 3HCl.cdx
csChFnd80/05221716182D

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PRT318

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Syk

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hydrochloride salt

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PRT-060318 (PRT318) 3HCl.cdx

$$$$
SGI-7079.cdx
csChFnd80/05221716182D

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VEGFR

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Free Base

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1239875-86-5

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SGI-7079.cdx

$$$$
AMG337.cdx
csChFnd80/05221716182D

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c-Met

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Free Base

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http://www.selleckchem.com/products/amg-337.html

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1173699-31-4

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0

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AMG337.cdx

$$$$
Olmutinib (HM61713, BI 1482694).cdx
csChFnd80/05221716182D

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2526

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C26H26N6O2S

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>  <Item Name> (169)
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>  <Catalog Number> (169)
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>  <Synonyms> (169)
BI 1482694, HM61713, HM71224

>  <Target> (169)
EGFR

>  <Form> (169)
Free Base

>  <URL> (169)
http://www.selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

>  <CAS Number> (169)
1353550-13-6

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Olmutinib (HM61713, BI 1482694).cdx

$$$$
5-Iodotubercidin.cdx
csChFnd80/05221716182D

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2547

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C11H13IN4O4

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S8314

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NSC 113939, 5-ITu

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Adenosine Receptor

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Free Base

>  <URL> (170)
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24386-93-4

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5-Iodotubercidin.cdx

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/05221716182D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
  1 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (171)
2595

>  <Formula> (171)
C15H10O4

>  <MolWeight> (171)
254.2375

>  <Item Name> (171)
7,8-Dihydroxyflavone

>  <Catalog Number> (171)
S8319

>  <Synonyms> (171)
7,8-DHF

>  <Target> (171)
Trk receptor

>  <Form> (171)
Free Base

>  <URL> (171)
http://www.selleckchem.com/products/7-8-dihydroxyflavone.html

>  <CAS Number> (171)
38183-03-8

>  <ALogP> (171)
2.652

>  <HBA_Count> (171)
2

>  <HBD_Count> (171)
2

>  <Num_RotatableBonds> (171)
1

>  <Name> (171)
7,8-Dihydroxyflavone.cdx

$$$$
