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DNA-PK, PI3K, mTOR

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1.cdx

$$$$
RAPAMYCIN.cdx
csChFnd80/07131713492D

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mTOR

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Free Base

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53123-88-9

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RAPAMYCIN.cdx

$$$$
untitled.cdx
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957054-30-7

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untitled.cdx

$$$$
1.cdx
csChFnd80/07131713492D

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M  END
>  <Mol_ID> (4)
4

>  <Formula> (4)
C19H21F2N7O2

>  <MolWeight> (4)
417.4125464

>  <Item Name> (4)
ZSTK474

>  <Catalog Number> (4)
S1072

>  <Synonyms> (4)
N/A

>  <Target> (4)
PI3K

>  <Form> (4)
Free Base

>  <URL> (4)
http://www.selleckchem.com/products/ZSTK474.html

>  <CAS Number> (4)
475110-96-4

>  <ALogP> (4)
3.366

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6

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0

>  <Num_RotatableBonds> (4)
4

>  <Name> (4)
1.cdx

$$$$
1.cdx
csChFnd80/07131713492D

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M  END
>  <Mol_ID> (5)
5

>  <Formula> (5)
C19H12Cl2N2O2

>  <MolWeight> (5)
371.21678

>  <Item Name> (5)
SB 216763

>  <Catalog Number> (5)
S1075

>  <Synonyms> (5)
N/A

>  <Target> (5)
GSK-3

>  <Form> (5)
Free Base

>  <URL> (5)
http://www.selleckchem.com/products/SB-216763.html

>  <CAS Number> (5)
280744-09-4

>  <ALogP> (5)
4.391

>  <HBA_Count> (5)
2

>  <HBD_Count> (5)
1

>  <Num_RotatableBonds> (5)
2

>  <Name> (5)
1.cdx

$$$$

csChFnd80/07131713492D

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M  END
>  <Mol_ID> (6)
6

>  <Formula> (6)
C25H23Cl2N5O

>  <MolWeight> (6)
480.38902

>  <Item Name> (6)
MK-2206 dihydrochloride

>  <Catalog Number> (6)
S1078

>  <Synonyms> (6)
N/A

>  <Target> (6)
Akt

>  <Form> (6)
Dihydrochloride

>  <URL> (6)
http://www.selleckchem.com/products/MK-2206.html

>  <CAS Number> (6)
1032350-13-2

>  <ALogP> (6)
4.183

>  <HBA_Count> (6)
3

>  <HBD_Count> (6)
2

>  <Num_RotatableBonds> (6)
3

$$$$
untitled.cdx
csChFnd80/07131713492D

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M  END
>  <Mol_ID> (7)
7

>  <Formula> (7)
C21H17NO3S2

>  <MolWeight> (7)
395.49458

>  <Item Name> (7)
KU-55933 (ATM Kinase Inhibitor)

>  <Catalog Number> (7)
S1092

>  <Synonyms> (7)
N/A

>  <Target> (7)
ATM

>  <Form> (7)
Free Base

>  <URL> (7)
http://www.selleckchem.com/products/KU-55933.html

>  <CAS Number> (7)
587871-26-9

>  <ALogP> (7)
4.393

>  <HBA_Count> (7)
3

>  <HBD_Count> (7)
0

>  <Num_RotatableBonds> (7)
2

>  <Name> (7)
untitled.cdx

$$$$
untitled.cdx
csChFnd80/07131713492D

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M  END
>  <Mol_ID> (15)
15

>  <Formula> (15)
C22H19Cl3N8

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501.79886

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CHIR-99021 (CT99021) HCl

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S2924

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N/A

>  <Target> (15)
PI3K/Akt/mTOR

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Hydrochloride

>  <URL> (15)
http://www.selleckchem.com/products/chir-99021-ct99021-hcl.html

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252917-06-9 (free base)

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4

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3

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CHIR-99021 (CT99021) hcl.cdx

$$$$

csChFnd80/07131713492D

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>  <Mol_ID> (16)
16

>  <Formula> (16)
C14H16ClN3O4S2

>  <MolWeight> (16)
389.87754

>  <Item Name> (16)
PIK-93

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S1489

>  <Synonyms> (16)
N/A

>  <Target> (16)
PI3K, VEGFR

>  <Form> (16)
Free Base

>  <URL> (16)
http://www.selleckchem.com/products/PIK-93.html

>  <CAS Number> (16)
593960-11-3

>  <ALogP> (16)
1.076

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4

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3

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6

$$$$
XL-765.cdx
csChFnd80/07131713492D

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17

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C31H29N5O6S

>  <MolWeight> (17)
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>  <Item Name> (17)
XL765

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>  <Synonyms> (17)
N/A

>  <Target> (17)
PI3K, mTOR

>  <Form> (17)
Free Base

>  <URL> (17)
http://www.selleckchem.com/products/XL765(SAR245409).html#

>  <CAS Number> (17)
1349796-36-6

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5.631

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3

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10

>  <Name> (17)
XL-765.cdx

$$$$
AZD 8055.cdx
csChFnd80/07131713492D

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>  <Form> (22)
Free Base

>  <URL> (22)
http://www.selleckchem.com/products/Indirubin.html

>  <CAS Number> (22)
479-41-4

>  <ALogP> (22)
1.876

>  <HBA_Count> (22)
2

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2

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0

>  <Name> (22)
Indirubin.cdx

$$$$
Quercetin.cdx
csChFnd80/07131713492D

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>  <Mol_ID> (23)
23

>  <Formula> (23)
C15H10O7

>  <MolWeight> (23)
302.2357

>  <Item Name> (23)
Quercetin (Sophoretin)

>  <Catalog Number> (23)
S2391

>  <Synonyms> (23)
Meletin, Quercetine

>  <Target> (23)
PI3K, PKC, Src, Sirtuin

>  <Form> (23)
Free Base

>  <URL> (23)
http://www.selleckchem.com/products/Quercetin(Sophoretin).html

>  <CAS Number> (23)
117-39-5

>  <ALogP> (23)
1.63

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2

>  <HBD_Count> (23)
5

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1

>  <Name> (23)
Quercetin.cdx

$$$$
PIK 293.cdx
csChFnd80/07131713492D

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>  <Mol_ID> (24)
24

>  <Formula> (24)
C22H19N7O

>  <MolWeight> (24)
397.43256

>  <Item Name> (24)
PIK-293

>  <Catalog Number> (24)
S2207

>  <Synonyms> (24)
N/A

>  <Target> (24)
PI3K

>  <Form> (24)
Free Base

>  <URL> (24)
http://www.selleckchem.com/products/PIK-293.html

>  <CAS Number> (24)
900185-01-5

>  <ALogP> (24)
3.162

>  <HBA_Count> (24)
5

>  <HBD_Count> (24)
1

>  <Num_RotatableBonds> (24)
3

>  <Name> (24)
PIK 293.cdx

$$$$
PP442.cdx
csChFnd80/07131713492D

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>  <Mol_ID> (25)
25

>  <Formula> (25)
C16H16N6O

>  <MolWeight> (25)
308.33784

>  <Item Name> (25)
Torkinib (PP242)

>  <Catalog Number> (25)
S2218

>  <Synonyms> (25)
TORKinib

>  <Target> (25)
mTOR

>  <Form> (25)
Free Base

>  <URL> (25)
http://www.selleckchem.com/products/PP242.html

>  <CAS Number> (25)
1092351-67-1

>  <ALogP> (25)
2.908

>  <HBA_Count> (25)
3

>  <HBD_Count> (25)
3

>  <Num_RotatableBonds> (25)
2

>  <Name> (25)
PP442.cdx

$$$$
Honokiol.cdx
csChFnd80/07131713492D

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M  END
>  <Mol_ID> (26)
26

>  <Formula> (26)
C18H18O2

>  <MolWeight> (26)
266.33432

>  <Item Name> (26)
Honokiol

>  <Catalog Number> (26)
S2310

>  <Synonyms> (26)
N/A

>  <Target> (26)
Akt, MEK

>  <Form> (26)
Free Base

>  <URL> (26)
http://www.selleckchem.com/products/Honokiol.html

>  <CAS Number> (26)
35354-74-6

>  <ALogP> (26)
4.88

>  <HBA_Count> (26)
0

>  <HBD_Count> (26)
2

>  <Num_RotatableBonds> (26)
5

>  <Name> (26)
Honokiol.cdx

$$$$
Naringin.cdx
csChFnd80/07131713492D

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>  <Mol_ID> (27)
27

>  <Formula> (27)
C27H32O14

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580.53458

>  <Item Name> (27)
Naringin (Naringoside)

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S2329

>  <Synonyms> (27)
Naringoside, Naringenine-7-rhamnosidoglucoside

>  <Target> (27)
P450 (e.g. CYP17)

>  <Form> (27)
Free Base

>  <URL> (27)
http://www.selleckchem.com/products/Naringin(Naringoside).html

>  <CAS Number> (27)
10236-47-2

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-0.415

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6

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8

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6

>  <Name> (27)
Naringin.cdx

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csChFnd80/07131713492D

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>  <Mol_ID> (28)
28

>  <Formula> (28)
C15H10O4

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254.2375

>  <Item Name> (28)
Chrysophanic acid (Chrysophanol)

>  <Catalog Number> (28)
S2406

>  <Synonyms> (28)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (28)
EGFR, mTOR

>  <Form> (28)
Free Base

>  <URL> (28)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

>  <CAS Number> (28)
481-74-3

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2.81

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2

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2

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0

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Chrysophanic acid.cdx

$$$$
GSK2126458.cdx
csChFnd80/07131713492D

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>  <Mol_ID> (29)
29

>  <Formula> (29)
C25H17F2N5O3S

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>  <Item Name> (29)
Omipalisib (GSK2126458, GSK458)

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N/A

>  <Target> (29)
PI3K, mTOR

>  <Form> (29)
Free Base

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http://www.selleckchem.com/products/gsk2126458.html

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1086062-66-9

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3.705

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7

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GSK2126458.cdx

$$$$
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CAL-101 (GS-1101)

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CAL101

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PI3K

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Free Base

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870281-82-6

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CAL-1011.cdx

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BX-795.cdx

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$$$$
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Akt

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mTOR

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>  <Mol_ID> (107)
108

>  <Formula> (107)
C18H32ClN3O8P2

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515.862502

>  <Item Name> (107)
Chloroquine Phosphate

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S4157

>  <Synonyms> (107)
N/A

>  <Target> (107)
Others

>  <Form> (107)
Diphosphate

>  <URL> (107)
http://www.selleckchem.com/products/chloroquine-phosphate.html

>  <CAS Number> (107)
50-63-5

>  <ALogP> (107)
3.408

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1

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1

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8

>  <Name> (107)
Chloroquine phosphate.cdx

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/07131713492D

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>  <Mol_ID> (108)
109

>  <Formula> (108)
C24H27Cl2N5O

>  <MolWeight> (108)
472.41008

>  <Item Name> (108)
Dorsomorphin (Compound C) 2HCl

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S7306

>  <Synonyms> (108)
BML-275,Compound C

>  <Target> (108)
AMPK

>  <Form> (108)
Dihydrochloride

>  <URL> (108)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

>  <CAS Number> (108)
1219168-18-9

>  <ALogP> (108)
3.792

>  <HBA_Count> (108)
4

>  <HBD_Count> (108)
0

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6

>  <Name> (108)
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx

$$$$
LJI308.cdx
csChFnd80/07131713492D

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>  <Mol_ID> (109)
110

>  <Formula> (109)
C21H18F2N2O2

>  <MolWeight> (109)
368.3766264

>  <Item Name> (109)
LJI308

>  <Catalog Number> (109)
S7871

>  <Synonyms> (109)
N/A

>  <Target> (109)
S6 Kinase

>  <Form> (109)
Free Base

>  <URL> (109)
http://www.selleckchem.com/products/lji308.html

>  <CAS Number> (109)
1627709-94-7

>  <ALogP> (109)
3.735

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2

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1

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>  <Name> (109)
LJI308.cdx

$$$$
CC-223.cdx
csChFnd80/07131713492D

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>  <Mol_ID> (110)
111

>  <Formula> (110)
C21H27N5O3

>  <MolWeight> (110)
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>  <Item Name> (110)
CC-223

>  <Catalog Number> (110)
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>  <Synonyms> (110)
N/A

>  <Target> (110)
mTOR

>  <Form> (110)
Free Base

>  <URL> (110)
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>  <CAS Number> (110)
1228013-30-6

>  <ALogP> (110)
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CC-223.cdx

$$$$
LJH685.cdx
csChFnd80/07131713492D

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M  END
>  <Mol_ID> (118)
119

>  <Formula> (118)
C53H84NO14P

>  <MolWeight> (118)
990.206121

>  <Item Name> (118)
Deforolimus (MK-8669) 

>  <Catalog Number> (118)
S1022

>  <Synonyms> (118)
AP23573, MK-8669

>  <Target> (118)
mTOR

>  <Form> (118)
Free Base

>  <URL> (118)
http://www.selleckchem.com/products/Deforolimus.html

>  <CAS Number> (118)
572924-54-0

>  <ALogP> (118)
6.303

>  <HBA_Count> (118)
12

>  <HBD_Count> (118)
1

>  <Num_RotatableBonds> (118)
8

$$$$
