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DNA-PK, PI3K, mTOR

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1.cdx

$$$$
RAPAMYCIN.cdx
csChFnd80/05221717202D

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>  <Mol_ID> (2)
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Rapamycin (Sirolimus)

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>  <Target> (2)
mTOR

>  <Form> (2)
Free Base

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

>  <CAS Number> (2)
53123-88-9

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>  <Name> (2)
RAPAMYCIN.cdx

$$$$
untitled.cdx
csChFnd80/05221717202D

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41

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957054-30-7

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untitled.cdx

$$$$
1.cdx
csChFnd80/05221717202D

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M  END
>  <Mol_ID> (4)
44

>  <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

>  <HBA_Count> (4)
6

>  <HBD_Count> (4)
0

>  <Num_RotatableBonds> (4)
4

>  <Name> (4)
1.cdx

$$$$
1.cdx
csChFnd80/05221717202D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (5)
45

>  <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

$$$$

csChFnd80/05221717202D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (6)
48

>  <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
csChFnd80/05221717202D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (7)
55

>  <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
csChFnd80/05221717202D

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244

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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

$$$$

csChFnd80/05221717202D

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>  <Mol_ID> (16)
319

>  <Formula> (16)
C14H16ClN3O4S2

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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

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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
csChFnd80/05221717202D

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330

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C31H29N5O6S

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

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S1523

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N/A

>  <Target> (17)
PI3K, mTOR

>  <Form> (17)
Free Base

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

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1349796-36-6

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10

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

$$$$
AZD 8055.cdx
csChFnd80/05221717202D

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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
csChFnd80/05221717202D

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>  <Mol_ID> (23)
543

>  <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

>  <HBA_Count> (23)
2

>  <HBD_Count> (23)
5

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1

>  <Name> (23)
Quercetin.cdx

$$$$
PIK 293.cdx
csChFnd80/05221717202D

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>  <Mol_ID> (24)
597

>  <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
csChFnd80/05221717202D

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>  <Mol_ID> (25)
603

>  <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

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2

>  <Name> (25)
PP442.cdx

$$$$
Honokiol.cdx
csChFnd80/05221717202D

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>  <Mol_ID> (26)
647

>  <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
csChFnd80/05221717202D

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>  <Mol_ID> (27)
662

>  <Formula> (27)
C27H32O14

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Naringin (Naringoside)

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S2329

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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

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Naringin.cdx

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csChFnd80/05221717202D

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682

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C15H10O4

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254.2375

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

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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

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481-74-3

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2.81

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Chrysophanic acid.cdx

$$$$
GSK2126458.cdx
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>  <Mol_ID> (29)
725

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C25H17F2N5O3S

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Omipalisib (GSK2126458, GSK458)

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N/A

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PI3K, mTOR

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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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870281-82-6

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CAL-1011.cdx

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BX-795.cdx

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mTOR

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P529

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mTOR

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PI3K

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Diphosphate

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M  END
>  <Mol_ID> (118)
2600

>  <Formula> (118)
C23H26N4O3

>  <MolWeight> (118)
406.47754

>  <Item Name> (118)
LY3023414

>  <Catalog Number> (118)
S8322

>  <Synonyms> (118)
GTPL8918

>  <Target> (118)
Akt

>  <Form> (118)
Free Base

>  <URL> (118)
http://www.selleckchem.com/products/ly3023414.html

>  <CAS Number> (118)
1386874-06-1

>  <ALogP> (118)
1.883

>  <HBA_Count> (118)
4

>  <HBD_Count> (118)
0

>  <Num_RotatableBonds> (118)
5

>  <Name> (118)
LY3023414.cdx

$$$$
