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>  <Mol_ID> (1)
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>  <Item Name> (1)
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>  <Synonyms> (1)
N/A 

>  <Target> (1)
Bcl-2 

>  <Form> (1)
Free Base

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>  <CAS Number> (1)
923564-51-6

>  <ALogP> (1)
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17

$$$$

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>  <Synonyms> (2)
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>  <Target> (2)
Bcl-2 

>  <Form> (2)
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>  <URL> (2)
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>  <CAS Number> (2)
852808-04-9

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$$$$
untitled.cdx
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M  END
>  <Mol_ID> (3)
15

>  <Formula> (3)
C13H13N3O3

>  <MolWeight> (3)
259.26062

>  <Item Name> (3)
Lenalidomide (CC-5013)

>  <Catalog Number> (3)
S1029

>  <Synonyms> (3)
CC-5013

>  <Target> (3)
TNF-alpha

>  <Form> (3)
Free Base

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

>  <CAS Number> (3)
191732-72-6

>  <ALogP> (3)
-0.515

>  <HBA_Count> (3)
3

>  <HBD_Count> (3)
2

>  <Num_RotatableBonds> (3)
1

$$$$
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M  END
>  <Mol_ID> (4)
33

>  <Formula> (4)
C21H23N3O4S

>  <MolWeight> (4)
413.49002

>  <Item Name> (4)
Obatoclax mesylate (GX15-070)

>  <Catalog Number> (4)
S1057

>  <Synonyms> (4)
N/A

>  <Target> (4)
Bcl-2

>  <Form> (4)
Mesylate

>  <URL> (4)
http://www.selleckchem.com/products/Obatoclax-Mesylate.html

>  <CAS Number> (4)
803712-79-0

>  <ALogP> (4)
3.757

>  <HBA_Count> (4)
2

>  <HBD_Count> (4)
2

>  <Num_RotatableBonds> (4)
3

$$$$
nutlin-3.cdx
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>  <Mol_ID> (5)
35

>  <Formula> (5)
C30H30Cl2N4O4

>  <MolWeight> (5)
581.4896

>  <Item Name> (5)
Nutlin-3

>  <Catalog Number> (5)
S1061

>  <Synonyms> (5)
N/A

>  <Target> (5)
Mdm2

>  <Form> (5)
Free Base

>  <URL> (5)
http://www.selleckchem.com/products/Nutlin-3.html

>  <CAS Number> (5)
548472-68-0

>  <ALogP> (5)
5.434

>  <HBA_Count> (5)
5

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1

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6

$$$$
TW 37.cdx
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>  <Mol_ID> (6)
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>  <URL> (6)
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4

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8

$$$$
untitled.cdx
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Proteasome

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Survivin

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M  CFW  18 BOND_GSTEREO 5
M  END
>  <Mol_ID> (11)
385

>  <Formula> (11)
C32H34O10

>  <MolWeight> (11)
578.60636

>  <Item Name> (11)
AT101

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S2812

>  <Synonyms> (11)
N/A

>  <Target> (11)
Bcl-2

>  <Form> (11)
acetic acid salt

>  <URL> (11)
http://www.selleckchem.com/products/at101.html

>  <CAS Number> (11)
866541-93-7

>  <ALogP> (11)
6.388

>  <HBA_Count> (11)
3

>  <HBD_Count> (11)
6

>  <Num_RotatableBonds> (11)
5

$$$$
VX 765.cdx
csChFnd80/03021816122D

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M  END
>  <Mol_ID> (12)
587

>  <Formula> (12)
C24H33ClN4O6

>  <MolWeight> (12)
508.99502

>  <Item Name> (12)
Belnacasan (VX-765)

>  <Catalog Number> (12)
S2228

>  <Synonyms> (12)
N/A

>  <Target> (12)
Caspase

>  <Form> (12)
Free Base

>  <URL> (12)
http://www.selleckchem.com/products/VX-765.html

>  <CAS Number> (12)
273404-37-8

>  <ALogP> (12)
1.698

>  <HBA_Count> (12)
6

>  <HBD_Count> (12)
3

>  <Num_RotatableBonds> (12)
8

$$$$
10-Hydroxycamptothecin.cdx
csChFnd80/03021816122D

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M  END
>  <Mol_ID> (13)
602

>  <Formula> (13)
C20H16N2O5

>  <MolWeight> (13)
364.35144

>  <Item Name> (13)
10-Hydroxycamptothecin

>  <Catalog Number> (13)
S2423

>  <Synonyms> (13)
N/A

>  <Target> (13)
Topoisomerase

>  <Form> (13)
Free Base

>  <URL> (13)
http://www.selleckchem.com/products/10-hydroxycamptothecin.html

>  <CAS Number> (13)
19685-09-7

>  <ALogP> (13)
1.504

>  <HBA_Count> (13)
4

>  <HBD_Count> (13)
1

>  <Num_RotatableBonds> (13)
1

$$$$
PAC1.cdx
csChFnd80/03021816122D

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M  END
>  <Mol_ID> (14)
826

>  <Formula> (14)
C23H28N4O2

>  <MolWeight> (14)
392.49402

>  <Item Name> (14)
PAC-1

>  <Catalog Number> (14)
S2738

>  <Synonyms> (14)
Procaspase activating compound 1

>  <Target> (14)
Caspase

>  <Form> (14)
Free Base

>  <URL> (14)
http://www.selleckchem.com/products/pac-1.html

>  <CAS Number> (14)
315183-21-2

>  <ALogP> (14)
3.331

>  <HBA_Count> (14)
2

>  <HBD_Count> (14)
2

>  <Num_RotatableBonds> (14)
8

$$$$
RITA (NSC 652287).cdx
csChFnd80/03021816122D

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    1.7730    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9057    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0383    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3828    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2317    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7991    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3991    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0991    3.2870    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.5632    2.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6036    1.9599    0.0000 O   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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  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
  6 10  1  0  0  0  0
 11 12  1  0  0  0  0
  6 11  1  0  0  0  0
  2  9  1  0  0  0  0
 13 14  2  0  0  0  0
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 13 17  1  0  0  0  0
 18 19  1  0  0  0  0
 13 18  1  0  0  0  0
  5 16  1  0  0  0  0
M  END
>  <Mol_ID> (15)
936

>  <Formula> (15)
C14H12O3S2

>  <MolWeight> (15)
292.37328

>  <Item Name> (15)
RITA (NSC 652287)

>  <Catalog Number> (15)
S2781

>  <Synonyms> (15)
SOS BISMETHANOL

>  <Target> (15)
p53

>  <Form> (15)
Free Base

>  <URL> (15)
http://www.selleckchem.com/products/rita-nsc-652287.html

>  <CAS Number> (15)
213261-59-7

>  <ALogP> (15)
3.407

>  <HBA_Count> (15)
1

>  <HBD_Count> (15)
2

>  <Num_RotatableBonds> (15)
4

$$$$
Thalidomide.cdx
csChFnd80/03021816122D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.4229    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4229    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7544    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668    1.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7544    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9903    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9903    4.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5000    3.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4641    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5000    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
  1 10  2  0  0  0  0
  3 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 19  2  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (16)
978

>  <Formula> (16)
C13H10N2O4

>  <MolWeight> (16)
258.2295

>  <Item Name> (16)
Thalidomide

>  <Catalog Number> (16)
S1193

>  <Synonyms> (16)
Thalomid

>  <Target> (16)
E3 Ligase ,TNF-alpha

>  <Form> (16)
Free Base

>  <URL> (16)
http://www.selleckchem.com/products/Thalidomide.html

>  <CAS Number> (16)
50-35-1

>  <ALogP> (16)
0.097

>  <HBA_Count> (16)
4

>  <HBD_Count> (16)
1

>  <Num_RotatableBonds> (16)
1

$$$$
Gambogic acid.cdx
csChFnd80/03021816122D

 46 51  0  0  0  0  0  0  0  0999 V2000
    4.5346    3.5731    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5362    2.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3612    4.2489    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7110    4.2489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3553    1.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9223    3.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1562    2.1731    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0705    6.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9223    2.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7013    0.0184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1032    4.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2302    7.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1032    1.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7798    9.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2475    7.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6703    2.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8412    3.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1032    8.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3918    8.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9717    2.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3704    3.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4930    2.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8958    2.8397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2007    0.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4818    4.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5636    5.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9636    5.9388    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
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  6  1  0  0  0  0
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  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 11  1  0  0  0  0
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 17 21  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 26  2  0  0  0  0
 21 27  1  0  0  0  0
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 28 31  1  0  0  0  0
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 29 32  1  0  0  0  0
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 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 28 39  1  1  0  0  0
  8 40  2  0  0  0  0
  3  5  1  1  0  0  0
 41 42  1  0  0  0  0
 42  1  1  0  0  0  0
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 10 46  1  6  0  0  0
M  END
>  <Mol_ID> (17)
1057

>  <Formula> (17)
C38H44O8

>  <MolWeight> (17)
628.75116

>  <Item Name> (17)
Gambogic Acid

>  <Catalog Number> (17)
S2448

>  <Synonyms> (17)
N/A

>  <Target> (17)
Bcl-2,Caspase

>  <Form> (17)
Free Base

>  <URL> (17)
http://www.selleckchem.com/products/gambogic-acid.html

>  <CAS Number> (17)
2752-65-0

>  <ALogP> (17)
6.957

>  <HBA_Count> (17)
6

>  <HBD_Count> (17)
1

>  <Num_RotatableBonds> (17)
8

$$$$
Apoptosis Activator II.cdx
csChFnd80/03021816122D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.7641    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1641    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8641    4.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5967    2.2229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4641    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2604    3.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
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 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (18)
1191

>  <Formula> (18)
C15H9Cl2NO2

>  <MolWeight> (18)
306.14346

>  <Item Name> (18)
Apoptosis Activator 2

>  <Catalog Number> (18)
S2927

>  <Synonyms> (18)
N/A

>  <Target> (18)
Caspase

>  <Form> (18)
Free Base

>  <URL> (18)
http://www.selleckchem.com/products/apoptosis-activator-2.html

>  <CAS Number> (18)
79183-19-0

>  <ALogP> (18)
3.788

>  <HBA_Count> (18)
2

>  <HBD_Count> (18)
0

>  <Num_RotatableBonds> (18)
2

$$$$
Tenovin-1.cdx
csChFnd80/03021816122D

 26 27  0  0  0  0  0  0  0  0999 V2000
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    1.2167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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p53

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Free Base

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>  <CAS Number> (19)
380315-80-0

>  <ALogP> (19)
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2

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$$$$
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csChFnd80/03021816122D

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>  <Mol_ID> (20)
1195

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C16H19BrN2OS

>  <MolWeight> (20)
367.30386

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Pifithrin-¦Á (PFT¦Á) HBr

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S2929

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N/A

>  <Target> (20)
p53

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HBr

>  <URL> (20)
http://www.selleckchem.com/products/pifithrin-alpha.html

>  <CAS Number> (20)
63208-82-2

>  <ALogP> (20)
3.993

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$$$$
Necrostatin-1.cdx
csChFnd80/03021816122D

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>  <Mol_ID> (21)
1234

>  <Formula> (21)
C13H13N3OS

>  <MolWeight> (21)
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>  <Item Name> (21)
Necrostatin-1

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S8037

>  <Synonyms> (21)
N/A

>  <Target> (21)
TNF-alpha

>  <Form> (21)
Free Base

>  <URL> (21)
http://www.selleckchem.com/products/necrostatin-1.html

>  <CAS Number> (21)
4311-88-0

>  <ALogP> (21)
2.472

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1

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2

>  <Num_RotatableBonds> (21)
2

$$$$
ABT-199.cdx
csChFnd80/03021816122D

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>  <Mol_ID> (22)
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>  <Formula> (22)
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>  <MolWeight> (22)
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>  <Item Name> (22)
Venetoclax (ABT-199, GDC-0199)

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S8048

>  <Synonyms> (22)
N/A

>  <Target> (22)
Bcl-2

>  <Form> (22)
Free Base

>  <URL> (22)
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>  <CAS Number> (22)
1257044-40-8

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$$$$
Birinapant (TL32711).cdx
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M  END
>  <Mol_ID> (23)
1250

>  <Formula> (23)
C42H56F2N8O6

>  <MolWeight> (23)
806.9408464

>  <Item Name> (23)
Birinapant (TL32711)

>  <Catalog Number> (23)
S7015

>  <Synonyms> (23)
N/A

>  <Target> (23)
Caspase

>  <Form> (23)
Free Base

>  <URL> (23)
http://www.selleckchem.com/products/birinapant-tl32711.html

>  <CAS Number> (23)
1260251-31-7

>  <ALogP> (23)
3.08

>  <HBA_Count> (23)
4

>  <HBD_Count> (23)
8

>  <Num_RotatableBonds> (23)
15

$$$$
Embelin.cdx
csChFnd80/03021816122D

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M  END
>  <Mol_ID> (24)
1322

>  <Formula> (24)
C17H26O4

>  <MolWeight> (24)
294.38594

>  <Item Name> (24)
Embelin

>  <Catalog Number> (24)
S7025

>  <Synonyms> (24)
Embelic Acid

>  <Target> (24)
IAP

>  <Form> (24)
Free Base

>  <URL> (24)
https://www.selleckchem.com/products/embelin.html

>  <CAS Number> (24)
550-24-3

>  <ALogP> (24)
4.62

>  <HBA_Count> (24)
2

>  <HBD_Count> (24)
2

>  <Num_RotatableBonds> (24)
10

$$$$
b-AP15.cdx
csChFnd80/03021816122D

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M  END
>  <Mol_ID> (25)
1415

>  <Formula> (25)
C22H17N3O6

>  <MolWeight> (25)
419.38688

>  <Item Name> (25)
b-AP15

>  <Catalog Number> (25)
S4920

>  <Synonyms> (25)
N/A

>  <Target> (25)
DUB

>  <Form> (25)
Free Base

>  <URL> (25)
http://www.selleckchem.com/products/b-ap15.html

>  <CAS Number> (25)
1009817-63-3

>  <ALogP> (25)
3.653

>  <HBA_Count> (25)
2

>  <HBD_Count> (25)
0

>  <Num_RotatableBonds> (25)
5

$$$$
GDC-0152.cdx
csChFnd80/03021816122D

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1639

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C23H21FN6O

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PERK

>  <Form> (32)
Free Base

>  <URL> (32)
http://www.selleckchem.com/products/gsk2656157.html

>  <CAS Number> (32)
1337532-29-2

>  <ALogP> (32)
2.926

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4

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1

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3

$$$$
Z-VAD-FMK.cdx
csChFnd80/03021816122D

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>  <Mol_ID> (33)
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Z-VAD-FMK

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S7023

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N/A

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Caspase

>  <Form> (33)
Free Base

>  <URL> (33)
http://www.selleckchem.com/products/z-vad-fmk.html

>  <CAS Number> (33)
187389-52-2

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1.472

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7

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3

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14

$$$$
YH239-EE.cdx
csChFnd80/03021816122D

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1703

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>  <Synonyms> (34)
N/A

>  <Target> (34)
Mdm2

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Free Base

>  <URL> (34)
http://www.selleckchem.com/products/yh239-ee.html

>  <CAS Number> (34)
1364488-67-4

>  <ALogP> (34)
4.912

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4

>  <HBD_Count> (34)
2

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9

$$$$
LCL161.cdx
csChFnd80/03021816122D

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 18 21  1  0  0  0  0
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 30 34  2  0  0  0  0
 31 35  1  1  0  0  0
M  END
>  <Mol_ID> (35)
1804

>  <Formula> (35)
C26H33FN4O3S

>  <MolWeight> (35)
500.6286232

>  <Item Name> (35)
LCL161

>  <Catalog Number> (35)
S7009

>  <Synonyms> (35)
N/A

>  <Target> (35)
IAP

>  <Form> (35)
Free Base

>  <URL> (35)
http://www.selleckchem.com/products/lcl161.html

>  <CAS Number> (35)
1005342-46-0

>  <ALogP> (35)
3.785

>  <HBA_Count> (35)
4

>  <HBD_Count> (35)
2

>  <Num_RotatableBonds> (35)
8

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/03021816122D

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  2 10  1  0  0  0  0
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 21 22  2  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (36)
1805

>  <Formula> (36)
C15H17ClIN3O3

>  <MolWeight> (36)
449.67125

>  <Item Name> (36)
K-Ras(G12C) inhibitor 12

>  <Catalog Number> (36)
S7331

>  <Synonyms> (36)
N/A

>  <Target> (36)
Rho

>  <Form> (36)
Free Base

>  <URL> (36)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-12.html

>  <CAS Number> (36)
1469337-95-8

>  <ALogP> (36)
1.819

>  <HBA_Count> (36)
2

>  <HBD_Count> (36)
2

>  <Num_RotatableBonds> (36)
4

$$$$
AGK 2.cdx
csChFnd80/03021816122D

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    8.4563    3.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
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 16  9  1  0  0  0  0
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 28 23  1  0  0  0  0
 28 29  1  0  0  0  0
 25 30  1  0  0  0  0
M  END
>  <Mol_ID> (37)
1807

>  <Formula> (37)
C23H13Cl2N3O2

>  <MolWeight> (37)
434.27422

>  <Item Name> (37)
AGK2

>  <Catalog Number> (37)
S7577

>  <Synonyms> (37)
N/A

>  <Target> (37)
Sirtuin

>  <Form> (37)
Free Base

>  <URL> (37)
http://www.selleckchem.com/products/agk2.html

>  <CAS Number> (37)
304896-28-4

>  <ALogP> (37)
5.641

>  <HBA_Count> (37)
3

>  <HBD_Count> (37)
1

>  <Num_RotatableBonds> (37)
4

$$$$
MG 101.cdx
csChFnd80/03021816122D

 28 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (38)
1814

>  <Formula> (38)
C20H37N3O4

>  <MolWeight> (38)
383.52548

>  <Item Name> (38)
MG-101 (ALLN)

>  <Catalog Number> (38)
S7386

>  <Synonyms> (38)
Calpain inhibitor-1

>  <Target> (38)
Cysteine Protease

>  <Form> (38)
Oxalate

>  <URL> (38)
http://www.selleckchem.com/products/mg-101-alln.html

>  <CAS Number> (38)
110044-82-1

>  <ALogP> (38)
2.348

>  <HBA_Count> (38)
4

>  <HBD_Count> (38)
3

>  <Num_RotatableBonds> (38)
13

$$$$
UMI-77 .cdx
csChFnd80/03021816122D

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M  END
>  <Mol_ID> (39)
1818

>  <Formula> (39)
C18H14BrNO5S2

>  <MolWeight> (39)
468.34146

>  <Item Name> (39)
UMI-77

>  <Catalog Number> (39)
S7531

>  <Synonyms> (39)
N/A

>  <Target> (39)
Bcl-2

>  <Form> (39)
Free Base

>  <URL> (39)
http://www.selleckchem.com/products/umi-77.html

>  <CAS Number> (39)
518303-20-3

>  <ALogP> (39)
3.755

>  <HBA_Count> (39)
3

>  <HBD_Count> (39)
2

>  <Num_RotatableBonds> (39)
6

$$$$
MI-3.cdx
csChFnd80/03021816122D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (40)
1819

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375.5546

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MI-3 (Menin-MLL Inhibitor)

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S7619

>  <Synonyms> (40)
N/A

>  <Target> (40)
Histone Methyltransferase

>  <Form> (40)
Free Base

>  <URL> (40)
http://www.selleckchem.com/products/mi-3-menin-mll-inhibitor.html

>  <CAS Number> (40)
1271738-59-0

>  <ALogP> (40)
4.168

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3

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0

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3

$$$$
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>  <Mol_ID> (41)
1834

>  <Formula> (41)
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>  <Item Name> (41)
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>  <Synonyms> (41)
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>  <Target> (41)
Mdm2

>  <Form> (41)
Free Base

>  <URL> (41)
http://www.selleckchem.com/products/nutlin-3a.html

>  <CAS Number> (41)
675576-98-4

>  <ALogP> (41)
5.434

>  <HBA_Count> (41)
5

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1

>  <Num_RotatableBonds> (41)
6

$$$$
Nutlin-3b.cdx
csChFnd80/03021816122D

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>  <Mol_ID> (42)
1835

>  <Formula> (42)
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>  <MolWeight> (42)
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>  <Item Name> (42)
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>  <Synonyms> (42)
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>  <Target> (42)
Mdm2

>  <Form> (42)
Free Base

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http://www.selleckchem.com/products/nutlin-3b.html

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675576-97-3

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5.434

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5

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1

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6

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/03021816122D

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JAK

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1369761-01-2

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Mdm2

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http://www.selleckchem.com/products/idasanutlin-rg-7388.html

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1229705-06-9

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3.85

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N/A

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Histone Methyltransferase

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Free Base

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http://www.selleckchem.com/products/mi-2-menin-mll-inhibitor.html

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1271738-62-5

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ALK

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Histone Demethylase

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Free Base

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http://www.selleckchem.com/products/sp2509.html

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1423715-09-6

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1.891

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5

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2

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N/A

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Epigenetic Reader Domain

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Free Base

>  <URL> (48)
http://www.selleckchem.com/products/gsk1324726a-i-bet726.html

>  <CAS Number> (48)
1300031-52-0

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4.648

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2

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1

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4

$$$$
EI1.cdx
csChFnd80/03021816122D

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>  <Mol_ID> (49)
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Histone Methyltransferase

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Free Base

>  <URL> (49)
http://www.selleckchem.com/products/ei1.html

>  <CAS Number> (49)
1418308-27-6

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2

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2

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6

$$$$
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csChFnd80/03021816122D

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IGF-1R

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>  <URL> (50)
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$$$$
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CDK

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377090-84-1

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$$$$
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 22  7  1  0  0  0  0
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 33 29  1  0  0  0  0
M  END
>  <Mol_ID> (55)
1882

>  <Formula> (55)
C24H20N4O4S

>  <MolWeight> (55)
460.505

>  <Item Name> (55)
SecinH3

>  <Catalog Number> (55)
S7685

>  <Synonyms> (55)
N/A

>  <Target> (55)
Others

>  <Form> (55)
Free Base

>  <URL> (55)
http://www.selleckchem.com/products/secinh3.html

>  <CAS Number> (55)
853625-60-2

>  <ALogP> (55)
4.748

>  <HBA_Count> (55)
6

>  <HBD_Count> (55)
1

>  <Num_RotatableBonds> (55)
7

$$$$
FTI 277 HCl.cdx
csChFnd80/03021816122D

 31 31  0  0  0  0  0  0  0  0999 V2000
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 18 30  1  0  0  0  0
M  END
>  <Mol_ID> (56)
1887

>  <Formula> (56)
C22H30ClN3O3S2

>  <MolWeight> (56)
484.0749

>  <Item Name> (56)
FTI 277 HCl

>  <Catalog Number> (56)
S7465

>  <Synonyms> (56)
N/A

>  <Target> (56)
Transferase

>  <Form> (56)
hydrochloride salt

>  <URL> (56)
http://www.selleckchem.com/products/fti-277-hcl.html

>  <CAS Number> (56)
180977-34-8

>  <ALogP> (56)
2.897

>  <HBA_Count> (56)
3

>  <HBD_Count> (56)
3

>  <Num_RotatableBonds> (56)
12

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/03021816122D

 32 33  0  0  0  0  0  0  0  0999 V2000
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 29 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (57)
1889

>  <Formula> (57)
C24H28Cl2N2O4

>  <MolWeight> (57)
479.39612

>  <Item Name> (57)
SBE 13 HCl

>  <Catalog Number> (57)
S7720

>  <Synonyms> (57)
N/A

>  <Target> (57)
PLK

>  <Form> (57)
Hydrochloride

>  <URL> (57)
http://www.selleckchem.com/products/sbe-13-hcl.html

>  <CAS Number> (57)
1052532-15-6

>  <ALogP> (57)
4.895

>  <HBA_Count> (57)
5

>  <HBD_Count> (57)
1

>  <Num_RotatableBonds> (57)
11

$$$$
Calpeptin.cdx
csChFnd80/03021816122D

 27 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (58)
1901

>  <Formula> (58)
C20H30N2O4

>  <MolWeight> (58)
362.4632

>  <Item Name> (58)
Calpeptin

>  <Catalog Number> (58)
S7396

>  <Synonyms> (58)
N/A

>  <Target> (58)
Cysteine Protease

>  <Form> (58)
Free Base

>  <URL> (58)
http://www.selleckchem.com/products/calpeptin.html

>  <CAS Number> (58)
117591-20-5

>  <ALogP> (58)
3.8

>  <HBA_Count> (58)
4

>  <HBD_Count> (58)
2

>  <Num_RotatableBonds> (58)
12

$$$$
LM-3572.cdx
csChFnd80/03021816122D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (59)
1913

>  <Formula> (59)
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PDGFR

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CDK

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872573-93-8

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$$$$
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   16.5245    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0816   13.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1613   11.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5016    9.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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A   89
?xCF3COOH?
M  CFW   7 BOND_GSTEREO 4
M  CFW  51 BOND_GSTEREO 4
M  END
>  <Mol_ID> (63)
1930

>  <Formula> (63)
C70H96N10O8R

>  <MolWeight> (63)
1205.57344

>  <Item Name> (63)
BV-6

>  <Catalog Number> (63)
S7597

>  <Synonyms> (63)
N/A

>  <Target> (63)
IAP

>  <Form> (63)
 Trifluoroacetic acid salt

>  <URL> (63)
http://www.selleckchem.com/products/bv-6.html

>  <CAS Number> (63)
1001600-56-1

>  <ALogP> (63)
8.158

>  <HBA_Count> (63)
8

>  <HBD_Count> (63)
8

>  <Num_RotatableBonds> (63)
29

$$$$
Purvalanol A.cdx
csChFnd80/03021816122D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    3.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.3045    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    8.1019    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.9045    0.0000 O   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
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  8  9  2  0  0  0  0
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M  END
>  <Mol_ID> (64)
1936

>  <Formula> (64)
C19H25ClN6O

>  <MolWeight> (64)
388.8944

>  <Item Name> (64)
Purvalanol A

>  <Catalog Number> (64)
S7793

>  <Synonyms> (64)
N/A

>  <Target> (64)
CDK

>  <Form> (64)
Free Base

>  <URL> (64)
http://www.selleckchem.com/products/purvalanol-a.html

>  <CAS Number> (64)
212844-53-6

>  <ALogP> (64)
4.462

>  <HBA_Count> (64)
3

>  <HBD_Count> (64)
3

>  <Num_RotatableBonds> (64)
7

$$$$
Anisomycin.cdx
csChFnd80/03021816122D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.6458    2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6359    0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2851    2.7896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7069    2.4127    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8318    5.4041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4895    4.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1447    3.6948    0.0000 O   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  1  0  0  0  0
  2  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  6  0  0  0
 12 19  1  1  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (65)
1940

>  <Formula> (65)
C14H19NO4

>  <MolWeight> (65)
265.30496

>  <Item Name> (65)
Anisomycin

>  <Catalog Number> (65)
S7409

>  <Synonyms> (65)
Flagecidin

>  <Target> (65)
JNK

>  <Form> (65)
Free Base

>  <URL> (65)
http://www.selleckchem.com/products/anisomycin.html

>  <CAS Number> (65)
22862-76-6

>  <ALogP> (65)
0.877

>  <HBA_Count> (65)
3

>  <HBD_Count> (65)
2

>  <Num_RotatableBonds> (65)
5

$$$$
BG45.cdx
csChFnd80/03021816122D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    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
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  7 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (66)
1954

>  <Formula> (66)
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BG45

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S7689

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N/A

>  <Target> (66)
HDAC

>  <Form> (66)
Free Base

>  <URL> (66)
http://www.selleckchem.com/products/bg45.html

>  <CAS Number> (66)
926259-99-6

>  <ALogP> (66)
-0.005

>  <HBA_Count> (66)
3

>  <HBD_Count> (66)
2

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2

$$$$
PLX3397.cdx
csChFnd80/03021816122D

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>  <Mol_ID> (67)
1956

>  <Formula> (67)
C20H15ClF3N5

>  <MolWeight> (67)
417.8148096

>  <Item Name> (67)
Pexidartinib (PLX3397)

>  <Catalog Number> (67)
S7818

>  <Synonyms> (67)
N/A

>  <Target> (67)
CSF-1R

>  <Form> (67)
Free Base

>  <URL> (67)
http://www.selleckchem.com/products/pexidartinib-plx3397.html

>  <CAS Number> (67)
1029044-16-3

>  <ALogP> (67)
4.811

>  <HBA_Count> (67)
3

>  <HBD_Count> (67)
2

>  <Num_RotatableBonds> (67)
6

$$$$
BI-847325.cdx
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>  <Mol_ID> (68)
1967

>  <Formula> (68)
C29H28N4O2

>  <MolWeight> (68)
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>  <Item Name> (68)
BI-847325

>  <Catalog Number> (68)
S7843

>  <Synonyms> (68)
N/A

>  <Target> (68)
MEK

>  <Form> (68)
Free Base

>  <URL> (68)
http://www.selleckchem.com/products/bi-847325.html

>  <CAS Number> (68)
1207293-36-4

>  <ALogP> (68)
4.041

>  <HBA_Count> (68)
2

>  <HBD_Count> (68)
3

>  <Num_RotatableBonds> (68)
8

$$$$
LRRK2-IN-1.cdx
csChFnd80/03021816122D

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>  <Mol_ID> (69)
1971

>  <Formula> (69)
C31H38N8O3

>  <MolWeight> (69)
570.68522

>  <Item Name> (69)
LRRK2-IN-1

>  <Catalog Number> (69)
S7584

>  <Synonyms> (69)
N/A

>  <Target> (69)
LRRK2

>  <Form> (69)
Free Base

>  <URL> (69)
http://www.selleckchem.com/products/lrrk2-in-1.html

>  <CAS Number> (69)
1234480-84-2

>  <ALogP> (69)
3.043

>  <HBA_Count> (69)
5

>  <HBD_Count> (69)
1

>  <Num_RotatableBonds> (69)
5

$$$$
NPS-1034.cdx
csChFnd80/03021816122D

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>  <Mol_ID> (70)
1973

>  <Formula> (70)
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S7669

>  <Synonyms> (70)
N/A

>  <Target> (70)
c-Met

>  <Form> (70)
Free Base

>  <URL> (70)
http://www.selleckchem.com/products/nps-1034.html

>  <CAS Number> (70)
1221713-92-3

>  <ALogP> (70)
4.795

>  <HBA_Count> (70)
4

>  <HBD_Count> (70)
2

>  <Num_RotatableBonds> (70)
6

$$$$
GDC0623.cdx
csChFnd80/03021816122D

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M  END
>  <Mol_ID> (71)
1978

>  <Formula> (71)
C16H14FIN4O3

>  <MolWeight> (71)
456.2102332

>  <Item Name> (71)
GDC-0623

>  <Catalog Number> (71)
S7553

>  <Synonyms> (71)
G-868

>  <Target> (71)
MEK

>  <Form> (71)
Free Base

>  <URL> (71)
http://www.selleckchem.com/products/gdc-0623.html

>  <CAS Number> (71)
1168091-68-6

>  <ALogP> (71)
2.284

>  <HBA_Count> (71)
3

>  <HBD_Count> (71)
3

>  <Num_RotatableBonds> (71)
6

$$$$
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M  END
>  <Mol_ID> (72)
1980

>  <Formula> (72)
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>  <MolWeight> (72)
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S7675

>  <Synonyms> (72)
N/A

>  <Target> (72)
PI3K

>  <Form> (72)
Free Base

>  <URL> (72)
http://www.selleckchem.com/products/pf-4989216.html

>  <CAS Number> (72)
1276553-09-3

>  <ALogP> (72)
2.924

>  <HBA_Count> (72)
3

>  <HBD_Count> (72)
1

>  <Num_RotatableBonds> (72)
3

$$$$
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csChFnd80/03021816122D

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>  <Mol_ID> (73)
1988

>  <Formula> (73)
C33H44F2N2O3

>  <MolWeight> (73)
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>  <Item Name> (73)
Omaveloxolone (RTA-408)

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>  <Synonyms> (73)
N/A

>  <Target> (73)
NF-¦ÊB

>  <Form> (73)
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>  <URL> (73)
http://www.selleckchem.com/products/omaveloxolone-rta-408.html

>  <CAS Number> (73)
1474034-05-3

>  <ALogP> (73)
5.339

>  <HBA_Count> (73)
3

>  <HBD_Count> (73)
1

>  <Num_RotatableBonds> (73)
2

$$$$
CPI-360.cdx
csChFnd80/03021816122D

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M  END
>  <Mol_ID> (74)
2000

>  <Formula> (74)
C25H31N3O4

>  <MolWeight> (74)
437.53134

>  <Item Name> (74)
CPI-360

>  <Catalog Number> (74)
S7656

>  <Synonyms> (74)
N/A

>  <Target> (74)
Histone Methyltransferase

>  <Form> (74)
Free Base

>  <URL> (74)
http://www.selleckchem.com/products/cpi-360.html

>  <CAS Number> (74)
1802175-06-9

>  <ALogP> (74)
2.071

>  <HBA_Count> (74)
4

>  <HBD_Count> (74)
2

>  <Num_RotatableBonds> (74)
6

$$$$
ONO-4059.cdx
csChFnd80/03021816122D

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  8 34  2  0  0  0  0
M  END
>  <Mol_ID> (75)
2001

>  <Formula> (75)
C25H24N6O3

>  <MolWeight> (75)
456.49646

>  <Item Name> (75)
ONO-4059

>  <Catalog Number> (75)
S7877

>  <Synonyms> (75)
ONO-WG-307

>  <Target> (75)
BTK

>  <Form> (75)
Free Base

>  <URL> (75)
http://www.selleckchem.com/products/ono-4059.html

>  <CAS Number> (75)
1351635-67-0

>  <ALogP> (75)
3.38

>  <HBA_Count> (75)
5

>  <HBD_Count> (75)
1

>  <Num_RotatableBonds> (75)
5

$$$$
MMAE.cdx
csChFnd80/03021816122D

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 32 35  1  1  0  0  0
 29 36  1  6  0  0  0
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 49 50  1  0  0  0  0
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 48 52  1  0  0  0  0
M  END
>  <Mol_ID> (76)
2004

>  <Formula> (76)
C39H67N5O7

>  <MolWeight> (76)
717.97858

>  <Item Name> (76)
Monomethyl auristatin E (MMAE)

>  <Catalog Number> (76)
S7721

>  <Synonyms> (76)
N/A

>  <Target> (76)
Microtubule Associated

>  <Form> (76)
Free Base

>  <URL> (76)
http://www.selleckchem.com/products/monomethyl-auristatin-e-mmae.html

>  <CAS Number> (76)
474645-27-7

>  <ALogP> (76)
3.46

>  <HBA_Count> (76)
6

>  <HBD_Count> (76)
4

>  <Num_RotatableBonds> (76)
20

$$$$
PD-L1 inhibitor 2.cdx
csChFnd80/03021816122D

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M  END
>  <Mol_ID> (77)
2008

>  <Formula> (77)
C25H29N3O3

>  <MolWeight> (77)
419.51606

>  <Item Name> (77)
BMS202 (PD-1/PD-L1 inhibitor 2)

>  <Catalog Number> (77)
S7912

>  <Synonyms> (77)
N/A

>  <Target> (77)
PD-1/PD-L1

>  <Form> (77)
Free Base

>  <URL> (77)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-2.html

>  <CAS Number> (77)
1675203-84-5

>  <ALogP> (77)
4.043

>  <HBA_Count> (77)
4

>  <HBD_Count> (77)
2

>  <Num_RotatableBonds> (77)
10

$$$$
Tiplaxtinin(PAI-039).cdx
csChFnd80/03021816122D

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    2.4165    7.8753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (78)
2009

>  <Formula> (78)
C24H16F3NO4

>  <MolWeight> (78)
439.3833496

>  <Item Name> (78)
Tiplaxtinin (PAI-039)

>  <Catalog Number> (78)
S7922

>  <Synonyms> (78)
N/A

>  <Target> (78)
Others

>  <Form> (78)
Free Base

>  <URL> (78)
http://www.selleckchem.com/products/tiplaxtinin-pai-039.html

>  <CAS Number> (78)
393105-53-8

>  <ALogP> (78)
7.066

>  <HBA_Count> (78)
3

>  <HBD_Count> (78)
0

>  <Num_RotatableBonds> (78)
7

$$$$
UNC2025.cdx
csChFnd80/03021816122D

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M  CFW  15 BOND_GSTEREO 5
M  CFW  38 BOND_GSTEREO 4
M  END
>  <Mol_ID> (79)
2020

>  <Formula> (79)
C28H41ClN6O

>  <MolWeight> (79)
513.11774

>  <Item Name> (79)
UNC-2025

>  <Catalog Number> (79)
S7576

>  <Synonyms> (79)
N/A

>  <Target> (79)
TAM Receptor

>  <Form> (79)
hydrochloride salt

>  <URL> (79)
http://www.selleckchem.com/products/unc-2025.html

>  <CAS Number> (79)
1429881-91-3

>  <ALogP> (79)
4.96

>  <HBA_Count> (79)
2

>  <HBD_Count> (79)
2

>  <Num_RotatableBonds> (79)
8

$$$$
Akti-1.cdx
csChFnd80/03021816122D

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Akt

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GSK-3

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ERK

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>  <Mol_ID> (88)
2200

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C31H42FN3O12

>  <MolWeight> (88)
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>  <Item Name> (88)
Z-DEVD-FMK

>  <Catalog Number> (88)
S7312

>  <Synonyms> (88)
Caspase-3 Inhibitor

>  <Target> (88)
Caspase

>  <Form> (88)
Free Base

>  <URL> (88)
http://www.selleckchem.com/products/z-devd-fmk.html

>  <CAS Number> (88)
210344-95-9

>  <ALogP> (88)
1.347

>  <HBA_Count> (88)
12

>  <HBD_Count> (88)
3

>  <Num_RotatableBonds> (88)
24

$$$$
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csChFnd80/03021816122D

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2244

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NSC59984

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S8106

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p53

>  <Form> (89)
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>  <URL> (89)
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>  <CAS Number> (89)
803647-40-7

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1.083

>  <HBA_Count> (89)
2

>  <HBD_Count> (89)
0

>  <Num_RotatableBonds> (89)
3

$$$$
Z-VAD(OH)-FMK (Caspase Inhibitor VI).cdx
csChFnd80/03021816122D

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>  <Mol_ID> (90)
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>  <Formula> (90)
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>  <Item Name> (90)
Z-VAD-FMK (Caspase Inhibitor VI)

>  <Catalog Number> (90)
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>  <Synonyms> (90)
N/A

>  <Target> (90)
Caspase

>  <Form> (90)
Free Base

>  <URL> (90)
http://www.selleckchem.com/products/z-vad(oh)-fmk.html

>  <CAS Number> (90)
161401-82-7

>  <ALogP> (90)
1.246

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6

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3

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13

$$$$
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csChFnd80/03021816122D

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M  END
>  <Mol_ID> (91)
2253

>  <Formula> (91)
C26H25F2N3O6

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513.4900064

>  <Item Name> (91)
Q-VD-Oph

>  <Catalog Number> (91)
S7311

>  <Synonyms> (91)
N/A

>  <Target> (91)
Caspase

>  <Form> (91)
Free Base

>  <URL> (91)
http://www.selleckchem.com/products/q-vd-oph.html

>  <CAS Number> (91)
1135695-98-5

>  <ALogP> (91)
3.397

>  <HBA_Count> (91)
6

>  <HBD_Count> (91)
2

>  <Num_RotatableBonds> (91)
11

$$$$
PD-1PD-L1 inhibitor 1.cdx
csChFnd80/03021816122D

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>  <Mol_ID> (92)
2260

>  <Formula> (92)
C29H33NO5

>  <MolWeight> (92)
475.57602

>  <Item Name> (92)
PD-1/PD-L1 inhibitor 1

>  <Catalog Number> (92)
S7911

>  <Synonyms> (92)
N/A

>  <Target> (92)
PD-1/PD-L1

>  <Form> (92)
Free Base

>  <URL> (92)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-1.html

>  <CAS Number> (92)
1675201-83-8

>  <ALogP> (92)
2.941

>  <HBA_Count> (92)
4

>  <HBD_Count> (92)
0

>  <Num_RotatableBonds> (92)
9

$$$$
NSC348884.cdx
csChFnd80/03021816122D

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>  <Mol_ID> (93)
2272

>  <Formula> (93)
C38H40N10

>  <MolWeight> (93)
636.7912

>  <Item Name> (93)
NSC348884

>  <Catalog Number> (93)
S8149

>  <Synonyms> (93)
N/A

>  <Target> (93)
p53

>  <Form> (93)
Free Base

>  <URL> (93)
http://www.selleckchem.com/products/nsc348884.html

>  <CAS Number> (93)
81624-55-7

>  <ALogP> (93)
7.572

>  <HBA_Count> (93)
4

>  <HBD_Count> (93)
4

>  <Num_RotatableBonds> (93)
11

$$$$
GSK481.cdx
csChFnd80/03021816122D

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>  <Mol_ID> (94)
2349

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C21H19N3O4

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TNF-alpha

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Free Base

>  <URL> (94)
http://www.selleckchem.com/products/gsk481.html

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1622849-58-4

>  <ALogP> (94)
2.545

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5

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1

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4

$$$$
NQDI-1.cdx
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M  END
>  <Mol_ID> (95)
2391

>  <Formula> (95)
C19H13NO4

>  <MolWeight> (95)
319.31082

>  <Item Name> (95)
NQDI-1

>  <Catalog Number> (95)
S8289

>  <Synonyms> (95)
N/A

>  <Target> (95)
Caspase

>  <Form> (95)
Free Base

>  <URL> (95)
http://www.selleckchem.com/products/nqdi-1.html

>  <CAS Number> (95)
175026-96-7

>  <ALogP> (95)
2.469

>  <HBA_Count> (95)
4

>  <HBD_Count> (95)
1

>  <Num_RotatableBonds> (95)
3

$$$$
Emricasan (IDN-6556, PF-03491390).cdx
csChFnd80/03021816122D

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M  END
>  <Mol_ID> (96)
2472

>  <Formula> (96)
C26H27F4N3O7

>  <MolWeight> (96)
569.5020928

>  <Item Name> (96)
Emricasan (IDN-6556, PF-03491390)

>  <Catalog Number> (96)
S7775

>  <Synonyms> (96)
IDN-6556, PF 03491390, PF-03491390

>  <Target> (96)
Caspase

>  <Form> (96)
Free Base

>  <URL> (96)
http://www.selleckchem.com/products/emricasan-idn-6556-pf-03491390.html

>  <CAS Number> (96)
254750-02-2

>  <ALogP> (96)
3.017

>  <HBA_Count> (96)
6

>  <HBD_Count> (96)
3

>  <Num_RotatableBonds> (96)
12

$$$$
Selonsertib (GS-4997).cdx
csChFnd80/03021816122D

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M  END
>  <Mol_ID> (97)
2483

>  <Formula> (97)
C24H24FN7O

>  <MolWeight> (97)
445.4920632

>  <Item Name> (97)
Selonsertib (GS-4997)

>  <Catalog Number> (97)
S8292

>  <Synonyms> (97)
N/A

>  <Target> (97)
Caspase

>  <Form> (97)
Free Base

>  <URL> (97)
http://www.selleckchem.com/products/selonsertib-gs-4997.html

>  <CAS Number> (97)
1448428-04-3

>  <ALogP> (97)
4.054

>  <HBA_Count> (97)
5

>  <HBD_Count> (97)
1

>  <Num_RotatableBonds> (97)
6

$$$$
AT-406.cdx
csChFnd80/03021816122D

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N/A

>  <Target> (98)
IAP

>  <Form> (98)
Free Base

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http://www.selleckchem.com/products/at-406.html

>  <CAS Number> (98)
1071992-99-8, 1071992-57-8 (HCl)

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2.264

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3

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9

$$$$
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csChFnd80/03021816122D

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>  <Mol_ID> (99)
2532

>  <Formula> (99)
C25H34N4O2S

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>  <Item Name> (99)
Tenovin-6

>  <Catalog Number> (99)
S4900

>  <Synonyms> (99)
N/A

>  <Target> (99)
p53,Sirtuin

>  <Form> (99)
Free Base

>  <URL> (99)
http://www.selleckchem.com/products/tenovin-6.html

>  <CAS Number> (99)
1011557-82-6

>  <ALogP> (99)
5.7

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2

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3

>  <Num_RotatableBonds> (99)
11

$$$$
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csChFnd80/03021816122D

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Free Base

>  <URL> (100)
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>  <CAS Number> (100)
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>  <ALogP> (100)
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9

$$$$
Z-IETD-FMK.cdx
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>  <Mol_ID> (101)
2553

>  <Formula> (101)
C32H44F4N4O13

>  <MolWeight> (101)
768.7043728

>  <Item Name> (101)
Z-IETD-FMK

>  <Catalog Number> (101)
S7314

>  <Synonyms> (101)
Caspase-8 Inhibitor

>  <Target> (101)
Caspase

>  <Form> (101)
trifluoroacetat

>  <URL> (101)
http://www.selleckchem.com/products/z-ietd-fmk.html

>  <CAS Number> (101)
210344-98-2

>  <ALogP> (101)
1.773

>  <HBA_Count> (101)
11

>  <HBD_Count> (101)
5

>  <Num_RotatableBonds> (101)
23

$$$$
PRIMA-1.cdx
csChFnd80/03021816122D

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>  <Mol_ID> (102)
2556

>  <Formula> (102)
C9H15NO3

>  <MolWeight> (102)
185.2203

>  <Item Name> (102)
PRIMA-1

>  <Catalog Number> (102)
S7723

>  <Synonyms> (102)
2,2-Bis(hydroxymethyl)-3-quinuclidinone

>  <Target> (102)
p53

>  <Form> (102)
Free Base

>  <URL> (102)
http://www.selleckchem.com/products/prima-1.html

>  <CAS Number> (102)
5608-24-2

>  <ALogP> (102)
-0.772

>  <HBA_Count> (102)
1

>  <HBD_Count> (102)
2

>  <Num_RotatableBonds> (102)
2

$$$$
A-1155463.cdx
csChFnd80/03021816122D

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>  <Mol_ID> (103)
2561

>  <Formula> (103)
C35H32FN5O4S2

>  <MolWeight> (103)
669.7880832

>  <Item Name> (103)
A-1155463

>  <Catalog Number> (103)
S7800

>  <Synonyms> (103)
N/A

>  <Target> (103)
Bcl-2

>  <Form> (103)
hydrochloride

>  <URL> (103)
http://www.selleckchem.com/products/a-1155463.html

>  <CAS Number> (103)
1235034-55-5

>  <ALogP> (103)
4.165

>  <HBA_Count> (103)
5

>  <HBD_Count> (103)
1

>  <Num_RotatableBonds> (103)
12

$$$$
S4711 Esculetin.cdx
csChFnd80/03021816122D

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>  <Mol_ID> (104)
2569

>  <Formula> (104)
C9H6O4

>  <MolWeight> (104)
178.14154

>  <Item Name> (104)
Esculetin

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S4711

>  <Synonyms> (104)
Cichorigenin|Aesculetin

>  <Target> (104)
Others

>  <Form> (104)
Free Base

>  <URL> (104)
http://www.selleckchem.com/products/esculetin.html

>  <CAS Number> (104)
305-01-1

>  <ALogP> (104)
1.415

>  <HBA_Count> (104)
2

>  <HBD_Count> (104)
2

>  <Num_RotatableBonds> (104)
0

$$$$
S7801-A-1331852.cdx
csChFnd80/03021816122D

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M  END
>  <Mol_ID> (105)
2577

>  <Formula> (105)
C38H38N6O3S

>  <MolWeight> (105)
658.81172

>  <Item Name> (105)
A-1331852

>  <Catalog Number> (105)
S7801

>  <Synonyms> (105)
N/A

>  <Target> (105)
Bcl-2

>  <Form> (105)
Free Base

>  <URL> (105)
http://www.selleckchem.com/products/a-1331852.html

>  <CAS Number> (105)
1430844-80-6

>  <ALogP> (105)
7.295

>  <HBA_Count> (105)
5

>  <HBD_Count> (105)
1

>  <Num_RotatableBonds> (105)
7

$$$$
S4726 Lauric Acid.cdx
csChFnd80/03021816122D

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M  END
>  <Mol_ID> (106)
2583

>  <Formula> (106)
C12H24O2

>  <MolWeight> (106)
200.31776

>  <Item Name> (106)
Lauric Acid

>  <Catalog Number> (106)
S4726

>  <Synonyms> (106)
N/A

>  <Target> (106)
Others

>  <Form> (106)
Free Base

>  <URL> (106)
http://www.selleckchem.com/products/lauric-acid.html

>  <CAS Number> (106)
143-07-7

>  <ALogP> (106)
4.568

>  <HBA_Count> (106)
1

>  <HBD_Count> (106)
0

>  <Num_RotatableBonds> (106)
10

$$$$
S4722 (+)-Catechin.cdx
csChFnd80/03021816122D

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M  END
>  <Mol_ID> (107)
2606

>  <Formula> (107)
C15H14O6

>  <MolWeight> (107)
290.26806

>  <Item Name> (107)
(+)-Catechin

>  <Catalog Number> (107)
S4722

>  <Synonyms> (107)
Cianidanol, Catechinic acid, Catechuic acid

>  <Target> (107)
Others

>  <Form> (107)
Free Base

>  <URL> (107)
http://www.selleckchem.com/products/catechin.html

>  <CAS Number> (107)
154-23-4

>  <ALogP> (107)
2.021

>  <HBA_Count> (107)
1

>  <HBD_Count> (107)
5

>  <Num_RotatableBonds> (107)
1

$$$$
BDA-366.cdx
csChFnd80/03021816122D

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M  END
>  <Mol_ID> (108)
2620

>  <Formula> (108)
C24H29N3O4

>  <MolWeight> (108)
423.50476

>  <Item Name> (108)
BDA-366

>  <Catalog Number> (108)
S7849

>  <Synonyms> (108)
N/A

>  <Target> (108)
Bcl-2

>  <Form> (108)
Free Base

>  <URL> (108)
http://www.selleckchem.com/products/bda-366.html

>  <CAS Number> (108)
1909226-00-1

>  <ALogP> (108)
2.467

>  <HBA_Count> (108)
3

>  <HBD_Count> (108)
3

>  <Num_RotatableBonds> (108)
10

$$$$
untitled.cdx
csChFnd80/03021816122D

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M  END
>  <Mol_ID> (109)
2622

>  <Formula> (109)
C38H47ClN4O4

>  <MolWeight> (109)
659.25718

>  <Item Name> (109)
NVP-CGM097

>  <Catalog Number> (109)
S7875

>  <Synonyms> (109)
CGM-097, CGM 097, CGM 097, NVP CGM097

>  <Target> (109)
E3 Ligase

>  <Form> (109)
Free Base

>  <URL> (109)
http://www.selleckchem.com/products/nvp-cgm097.html

>  <CAS Number> (109)
1313363-54-0

>  <ALogP> (109)
6.455

>  <HBA_Count> (109)
4

>  <HBD_Count> (109)
0

>  <Num_RotatableBonds> (109)
9

$$$$
MX69.cdx
csChFnd80/03021816122D

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>  <Mol_ID> (110)
2640

>  <Formula> (110)
C27H26N2O4S

>  <MolWeight> (110)
474.57134

>  <Item Name> (110)
MX69

>  <Catalog Number> (110)
S8403

>  <Synonyms> (110)
N/A

>  <Target> (110)
Mdm2

>  <Form> (110)
Free Base

>  <URL> (110)
http://www.selleckchem.com/products/mx69.html

>  <CAS Number> (110)
1005264-47-0

>  <ALogP> (110)
5.082

>  <HBA_Count> (110)
3

>  <HBD_Count> (110)
2

>  <Num_RotatableBonds> (110)
5

$$$$
S4735 Salvianolic acid B.cdx
csChFnd80/03021816122D

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M  END
>  <Mol_ID> (111)
2645

>  <Formula> (111)
C36H30O16

>  <MolWeight> (111)
718.6138

>  <Item Name> (111)
Salvianolic acid B

>  <Catalog Number> (111)
S4735

>  <Synonyms> (111)
Lithospermate B

>  <Target> (111)
Others

>  <Form> (111)
Free Base

>  <URL> (111)
http://www.selleckchem.com/products/salvianolic-acid-b.html

>  <CAS Number> (111)
121521-90-2

>  <ALogP> (111)
4.718

>  <HBA_Count> (111)
7

>  <HBD_Count> (111)
7

>  <Num_RotatableBonds> (111)
14

$$$$
Apoptozole.cdx
csChFnd80/03021816122D

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>  <Mol_ID> (112)
2653

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C33H25F6N3O3

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625.5603192

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Apoptozole

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S8365

>  <Synonyms> (112)
Apoptosis Activator VII

>  <Target> (112)
HSP

>  <Form> (112)
Free Base

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

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1054543-47-3

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8.042

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4

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1

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10

$$$$
CeMMEC1.cdx
csChFnd80/03021816122D

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>  <Mol_ID> (113)
2659

>  <Formula> (113)
C19H17ClN2O4

>  <MolWeight> (113)
372.80228

>  <Item Name> (113)
CeMMEC1 HCl

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S8328

>  <Synonyms> (113)
N/A

>  <Target> (113)
DNA/RNA Synthesis

>  <Form> (113)
hydrochloride

>  <URL> (113)
http://www.selleckchem.com/products/cemmec1.html

>  <CAS Number> (113)
440662-09-9(free base)

>  <ALogP> (113)
1.845

>  <HBA_Count> (113)
4

>  <HBD_Count> (113)
1

>  <Num_RotatableBonds> (113)
2

$$$$
S4737 Psoralen.cdx
csChFnd80/03021816122D

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>  <Mol_ID> (114)
2673

>  <Formula> (114)
C11H6O3

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186.16354

>  <Item Name> (114)
Psoralen

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S4737

>  <Synonyms> (114)
psoralene, Ficusin, Furocoumarin

>  <Target> (114)
DNA/RNA Synthesis

>  <Form> (114)
Free Base

>  <URL> (114)
http://www.selleckchem.com/products/psoralen.html

>  <CAS Number> (114)
66-97-7

>  <ALogP> (114)
2.203

>  <HBA_Count> (114)
3

>  <HBD_Count> (114)
0

>  <Num_RotatableBonds> (114)
0

$$$$
BH3I-1.cdx
csChFnd80/03021816122D

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>  <Mol_ID> (115)
2703

>  <Formula> (115)
C15H14BrNO3S2

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>  <Item Name> (115)
BH3I-1

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S8177

>  <Synonyms> (115)
N/A

>  <Target> (115)
Bcl-2

>  <Form> (115)
Free Base

>  <URL> (115)
http://www.selleckchem.com/products/bh3i-1.html

>  <CAS Number> (115)
300817-68-9

>  <ALogP> (115)
4.604

>  <HBA_Count> (115)
2

>  <HBD_Count> (115)
0

>  <Num_RotatableBonds> (115)
4

$$$$
Bioymifi.cdx
csChFnd80/03021816122D

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>  <Mol_ID> (116)
2730

>  <Formula> (116)
C22H12BrN3O4S

>  <MolWeight> (116)
494.31738

>  <Item Name> (116)
Bioymifi

>  <Catalog Number> (116)
S7942

>  <Synonyms> (116)
N/A

>  <Target> (116)
TNF-alpha

>  <Form> (116)
Free Base

>  <URL> (116)
http://www.selleckchem.com/products/bioymifi.html

>  <CAS Number> (116)
1420071-30-2

>  <ALogP> (116)
4.559

>  <HBA_Count> (116)
4

>  <HBD_Count> (116)
1

>  <Num_RotatableBonds> (116)
3

$$$$
GSK2982772.cdx
csChFnd80/03021816122D

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human RIP1

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free base

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1622848-92-3

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1.639

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4

$$$$
Marinopyrrole A (Maritoclax).cdx
csChFnd80/03021816122D

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Marinopyrrole A (Maritoclax)

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>  <Synonyms> (118)
N/A

>  <Target> (118)
Mcl-1

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free base

>  <URL> (118)
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1227962-62-0

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5

$$$$
FX1.cdx
csChFnd80/03021816122D

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>  <Mol_ID> (119)
2787

>  <Formula> (119)
C14H9ClN2O4S2

>  <MolWeight> (119)
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>  <Item Name> (119)
FX1

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S8591

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N/A

>  <Target> (119)
BCL6 BTB

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free base

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3

$$$$
GSK'872 (GSK2399872A).cdx
csChFnd80/03021816122D

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C19H17N3O2S2

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GSK'872 (GSK2399872A)

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N/A

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RIP3K

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>  <URL> (120)
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1346546-69-7

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3.902

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$$$$
Sodium dichloroacetate(DCA).cdx
csChFnd80/03021816122D

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>  <Mol_ID> (121)
2793

>  <Formula> (121)
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bichloroacetic acid, BCA

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PDK

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>  <URL> (121)
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2156-56-1

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$$$$
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csChFnd80/03021816122D

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  5 14  2  0  0  0  0
  8 15  2  0  0  0  0
 12 16  2  0  0  0  0
  4 17  2  0  0  0  0
 13 18  1  6  0  0  0
  9 19  1  6  0  0  0
M  END
>  <Mol_ID> (122)
2835

>  <Formula> (122)
C15H18O2

>  <MolWeight> (122)
230.30222

>  <Item Name> (122)
Dehydrocostus Lactone

>  <Catalog Number> (122)
S3615

>  <Synonyms> (122)
N/A

>  <Target> (122)
IKK¦Â

>  <Form> (122)
free base

>  <URL> (122)
http://www.selleckchem.com/products/dehydrocostus-lactone.html

>  <CAS Number> (122)
477-43-0

>  <ALogP> (122)
3.282

>  <HBA_Count> (122)
2

>  <HBD_Count> (122)
0

>  <Num_RotatableBonds> (122)
0

$$$$
S3665 Trolox.cdx
csChFnd80/03021816122D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6386    3.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6413    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2046    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
    4.8550    1.4046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4302    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0635    3.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    3.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0662    2.1069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2164    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4328    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4444    2.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5475    0.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0053    1.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3464    1.2819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9208    3.6691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (123)
2863

>  <Formula> (123)
C14H18O4

>  <MolWeight> (123)
250.29032

>  <Item Name> (123)
Trolox

>  <Catalog Number> (123)
S3665

>  <Synonyms> (123)
N/A

>  <Target> (123)
Vitamin

>  <Form> (123)
free base

>  <URL> (123)
http://www.selleckchem.com/products/trolox.html

>  <CAS Number> (123)
53188-07-1

>  <ALogP> (123)
3.489

>  <HBA_Count> (123)
2

>  <HBD_Count> (123)
1

>  <Num_RotatableBonds> (123)
1

$$$$
