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Lapatinib (GW-572016) Ditosylate

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388082-77-7

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STAT

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>  <URL> (2)
http://www.selleckchem.com/products/S31-201.html

$$$$
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$$$$
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120

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C24H26N4O4

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434.48764

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S1194

>  <Name> (4)
CUDC-101

>  <Synonyms> (4)
N/A

>  <Target> (4)
HDAC, EGFR, HER2

>  <Form> (4)
Free Base

>  <CAS> (4)
1012054-59-9

>  <URL> (4)
http://www.selleckchem.com/products/CUDC-101.html

$$$$
AEE-788.cdx
csChFnd80/10241917242D

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>  <Mol_ID> (5)
304

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C27H32N6

>  <MolWeight> (5)
440.58318

>  <Cat> (5)
S1486

>  <Name> (5)
AEE788 (NVP-AEE788)

>  <Synonyms> (5)
N/A 

>  <Target> (5)
EGFR, Flt, VEGFR, HER2

>  <Form> (5)
Free Base

>  <CAS> (5)
497839-62-0

>  <URL> (5)
http://www.selleckchem.com/products/AEE788.html

$$$$
NEOTHYLLINE (dyphylline).cdx
csChFnd80/10241917242D

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>  <Mol_ID> (6)
312

>  <Formula> (6)
C10H14N4O4

>  <MolWeight> (6)
254.24256

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S1504

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Dyphylline (Dilor)

>  <Synonyms> (6)
Neothylline, Lufyllin, diprophylline

>  <Target> (6)
PDE

>  <Form> (6)
Free Base

>  <CAS> (6)
479-18-5

>  <URL> (6)
http://www.selleckchem.com/products/Dyphylline(Dilor).html

$$$$
DMXAA.cdx
csChFnd80/10241917242D

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>  <Mol_ID> (7)
332

>  <Formula> (7)
C17H14O4

>  <MolWeight> (7)
282.29066

>  <Cat> (7)
S1537

>  <Name> (7)
DMXAA (Vadimezan)

>  <Synonyms> (7)
AS-1404, 5,6-MeXAA, NSC-640488, Vadimezan 

>  <Target> (7)
VDA

>  <Form> (7)
Free Base

>  <CAS> (7)
117570-53-3

>  <URL> (7)
http://www.selleckchem.com/products/DMXAA(ASA404).html

$$$$
untitled.cdx
csChFnd80/10241917242D

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M  END
>  <Mol_ID> (8)
497

>  <Formula> (8)
C29H41F2N5O

>  <MolWeight> (8)
513.6655464

>  <Cat> (8)
S2003

>  <Name> (8)
Maraviroc

>  <Synonyms> (8)
UK-427857, Celsentri 

>  <Target> (8)
CCR5 

>  <Form> (8)
Free Base

>  <CAS> (8)
376348-65-1

>  <URL> (8)
http://www.selleckchem.com/products/Maraviroc.html

$$$$
AZD8931.cdx
csChFnd80/10241917242D

 33 36  0  0  0  0  0  0  0  0999 V2000
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 14  2  1  0  0  0  0
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M  END
>  <Mol_ID> (9)
579

>  <Formula> (9)
C23H25ClFN5O3

>  <MolWeight> (9)
473.9277032

>  <Cat> (9)
S2192

>  <Name> (9)
AZD8931

>  <Synonyms> (9)
N/A

>  <Target> (9)
EGFR, HER2

>  <Form> (9)
Free Base

>  <CAS> (9)
848942-61-0

>  <URL> (9)
http://www.selleckchem.com/products/AZD8931.html

$$$$
Mubritinib.cdx
csChFnd80/10241917242D

 34 37  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5576    7.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (10)
592

>  <Formula> (10)
C25H23F3N4O2

>  <MolWeight> (10)
468.4709296

>  <Cat> (10)
S2216

>  <Name> (10)
Mubritinib (TAK 165)

>  <Synonyms> (10)
TAK 165, TAK165

>  <Target> (10)
HER2

>  <Form> (10)
Free Base

>  <CAS> (10)
366017-09-6

>  <URL> (10)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/10241917242D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (11)
597

>  <Formula> (11)
C22H18O11

>  <MolWeight> (11)
458.37172

>  <Cat> (11)
S2250

>  <Name> (11)
(-)-Epigallocatechin gallate

>  <Synonyms> (11)
EGCG

>  <Target> (11)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (11)
Free Base

>  <CAS> (11)
989-51-5

>  <URL> (11)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
Arry-380.cdx
csChFnd80/10241917242D

 41 46  0  0  0  0  0  0  0  0999 V2000
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939

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HER2 Inhibitor 1

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N/A

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HER2, EGFR

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Free Base

>  <CAS> (12)
937265-83-3

>  <URL> (12)
http://www.selleckchem.com/products/arry-380.html

$$$$
Lapatinib freebase.cdx
csChFnd80/10241917242D

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>  <Mol_ID> (13)
948

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C29H26ClFN4O4S

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S2111

>  <Name> (13)
Lapatinib

>  <Synonyms> (13)
N/A

>  <Target> (13)
EGFR, HER2

>  <Form> (13)
Free Base

>  <CAS> (13)
231277-92-2

>  <URL> (13)
http://www.selleckchem.com/products/lapatinib.html

$$$$
TAK-285.cdx
csChFnd80/10241917242D

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TAK-285

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N/A

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EGFR, HER2

>  <Form> (14)
Free Base

>  <CAS> (14)
871026-44-7

>  <URL> (14)
http://www.selleckchem.com/products/tak-285.html

$$$$
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csChFnd80/10241917242D

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>  <Mol_ID> (15)
986

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C20H24N4O4

>  <MolWeight> (15)
384.42896

>  <Cat> (15)
S2790

>  <Name> (15)
Istradefylline (KW-6002)

>  <Synonyms> (15)
N/A

>  <Target> (15)
Adenosine Receptor

>  <Form> (15)
Free Base

>  <CAS> (15)
155270-99-8

>  <URL> (15)
http://www.selleckchem.com/products/istradefylline-kw-6002.html

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952021-60-2

>  <URL> (17)
http://www.selleckchem.com/products/pf-477736.html

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>  <URL> (19)
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M  END
>  <Mol_ID> (20)
1248

>  <Formula> (20)
C23H30ClN7O6

>  <MolWeight> (20)
535.9806

>  <Cat> (20)
S2153

>  <Name> (20)
CGS 21680 HCl

>  <Synonyms> (20)
N/A

>  <Target> (20)
5-alpha Reductase

>  <Form> (20)
Hydrochloride

>  <CAS> (20)
124431-80-7

>  <URL> (20)
http://www.selleckchem.com/products/CGS-21680-hydrochloride.html

$$$$
Doxofylline.cdx
csChFnd80/10241917242D

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M  END
>  <Mol_ID> (21)
1364

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C11H14N4O4

>  <MolWeight> (21)
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S4164

>  <Name> (21)
Doxofylline

>  <Synonyms> (21)
N/A

>  <Target> (21)
PDE

>  <Form> (21)
Free Base

>  <CAS> (21)
69975-86-6

>  <URL> (21)
http://www.selleckchem.com/products/doxofylline.html

$$$$
nifuroxazide.cdx
csChFnd80/10241917242D

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>  <Mol_ID> (22)
1369

>  <Formula> (22)
C12H9N3O5

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275.21696

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S4182

>  <Name> (22)
Nifuroxazide

>  <Synonyms> (22)
N/A

>  <Target> (22)
STAT

>  <Form> (22)
Free Base

>  <CAS> (22)
965-52-6

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

$$$$
Sulfamethoxypyridazine.cdx
csChFnd80/10241917242D

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1452

>  <Formula> (23)
C11H12N4O3S

>  <MolWeight> (23)
280.30298

>  <Cat> (23)
S4250

>  <Name> (23)
Sulfamethoxypyridazine

>  <Synonyms> (23)
N/A

>  <Target> (23)
Antifection

>  <Form> (23)
Free Base

>  <CAS> (23)
80-35-3

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

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/10241917242D

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>  <Mol_ID> (24)
1528

>  <Formula> (24)
C24H25ClFN5O3

>  <MolWeight> (24)
485.9384032

>  <Cat> (24)
S1011

>  <Name> (24)
Afatinib (BIBW2992)

>  <Synonyms> (24)
N/A

>  <Target> (24)
EGFR

>  <Form> (24)
Free Base

>  <CAS> (24)
439081-18-2

>  <URL> (24)
http://www.selleckchem.com/products/BIBW2992.html

$$$$
BMS-599626 (AC480).cdx
csChFnd80/10241917242D

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    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 N   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  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
  1  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 14 18  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 26 28  1  0  0  0  0
  8 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  1  0  0  0  0
 34 33  1  1  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
M  END
>  <Mol_ID> (25)
1560

>  <Formula> (25)
C27H27FN8O3

>  <MolWeight> (25)
530.5534832

>  <Cat> (25)
S1056

>  <Name> (25)
AC480 (BMS-599626)

>  <Synonyms> (25)
N/A

>  <Target> (25)
HER2

>  <Form> (25)
Free Base

>  <CAS> (25)
714971-09-2

>  <URL> (25)
http://www.selleckchem.com/products/BMS-599626.html

$$$$
S3840 Baohuoside I.cdx
csChFnd80/10241917242D

 37 40  0  0  0  0  0  0  0  0999 V2000
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.6622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    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
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  1 16  1  0  0  0  0
  3 17  1  0  0  0  0
  7 18  2  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 29 34  1  1  0  0  0
 32 35  1  1  0  0  0
 30 36  1  1  0  0  0
 31 37  1  6  0  0  0
M  END
>  <Mol_ID> (26)
1910

>  <Formula> (26)
C27H30O10

>  <MolWeight> (26)
514.5211

>  <Cat> (26)
S3840

>  <Name> (26)
Baohuoside I

>  <Synonyms> (26)
Icariside II

>  <Target> (26)
ROS

>  <CAS> (26)
113558-15-9

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

$$$$
S4785 Nicotinamide N-oxide.cdx
csChFnd80/10241917242D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4179    3.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4267    2.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2038    4.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6303    4.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2035    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8415    3.4874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6303    5.5882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    2.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2035    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (27)
2060

>  <Formula> (27)
C6H6N2O2

>  <MolWeight> (27)
138.12404

>  <Cat> (27)
S4785

>  <Name> (27)
Nicotinamide N-oxide

>  <Synonyms> (27)
Nicotinamide 1-oxide, 1-oxynicotinamide, 1-Oxy-nicotinamide

>  <Target> (27)
Others

>  <Form> (27)
free base

>  <CAS> (27)
1986-81-8

>  <URL> (27)
http://www.selleckchem.com/products/nicotinamide-n-oxide.html

$$$$
S3951 Tannic acid.cdx
csChFnd80/10241917242D

122132  0  0  0  0  0  0  0  0999 V2000
   12.5946   10.9248    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.9904   10.9292    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8929   12.1313    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8984    9.7101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6846   12.1404    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6942    9.7190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5871   13.3426    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4929   12.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4984    9.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9828   13.3472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0847   12.1448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0942    9.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8832   14.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7891   13.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7980    8.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (28)
2089

>  <Formula> (28)
C76H52O46

>  <MolWeight> (28)
1701.19848

>  <Cat> (28)
S3951

>  <Name> (28)
Tannic acid

>  <Synonyms> (28)
Gallotannic acid

>  <Target> (28)
CXCR4 

>  <Form> (28)
free base

>  <CAS> (28)
1401-55-4

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

$$$$
S4932 Proxyphylline.cdx
csChFnd80/10241917242D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (29)
2148

>  <Formula> (29)
C10H14N4O3

>  <MolWeight> (29)
238.24316

>  <Cat> (29)
S4932

>  <Name> (29)
Proxyphylline

>  <Synonyms> (29)
Monophylline, Spasmolysin

>  <Target> (29)
Adenosine Receptor

>  <Form> (29)
free base

>  <CAS> (29)
603-00-9

>  <URL> (29)
http://selleckchem.com/products/proxyphylline.html

$$$$
untitled.cdx
csChFnd80/10241917242D

 34 37  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (30)
2243

>  <Formula> (30)
C24H25ClFN5O3

>  <MolWeight> (30)
485.9384032

>  <Cat> (30)
S1019

>  <Name> (30)
CI-1033 (Canertinib)

>  <Synonyms> (30)
PD-183805 

>  <Target> (30)
EGFR, HER2

>  <Form> (30)
Free Base

>  <CAS> (30)
267243-28-7

>  <URL> (30)
http://www.selleckchem.com/products/CI-1033(Canertinib).html

$$$$
Plerixafor.cdx
csChFnd80/10241917242D

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2290

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C28H54N8

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Plerixafor

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N/A

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CXCR

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Free Base

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110078-46-1

>  <URL> (31)
http://www.selleckchem.com/products/plerixafor.html

$$$$
Necrostatin-1.cdx
csChFnd80/10241917242D

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C13H13N3OS

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Necrostatin-1

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N/A

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TNF-alpha

>  <Form> (32)
Free Base

>  <CAS> (32)
4311-88-0

>  <URL> (32)
http://www.selleckchem.com/products/necrostatin-1.html

$$$$
STATTIC.cdx
csChFnd80/10241917242D

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2308

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C8H5NO4S

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Stattic

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N/A

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STAT

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Free Base

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19983-44-9

>  <URL> (33)
http://www.selleckchem.com/products/stattic.html

$$$$
Imiquimod.cdx
csChFnd80/10241917242D

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>  <Mol_ID> (34)
2334

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C14H16N4

>  <MolWeight> (34)
240.30364

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S1211

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Imiquimod

>  <Synonyms> (34)
Aldara

>  <Target> (34)
Immunology & Inflammation related

>  <Form> (34)
Free Base

>  <CAS> (34)
99011-02-6

>  <URL> (34)
http://www.selleckchem.com/products/Imiquimod.html

$$$$
Ticlopidine hydrochloride.cdx
csChFnd80/10241917242D

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>  <Mol_ID> (35)
2415

>  <Formula> (35)
C14H15Cl2NS

>  <MolWeight> (35)
300.2466

>  <Cat> (35)
S1984

>  <Name> (35)
Ticlopidine hydrochloride

>  <Synonyms> (35)
N/A

>  <Target> (35)
P2 Receptor

>  <Form> (35)
Hydrochloride

>  <CAS> (35)
53885-35-1

>  <URL> (35)
http://www.selleckchem.com/products/ticlopidine-hydrochloride.html

$$$$
Plerixafor 8HCl.cdx
csChFnd80/10241917242D

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2430

>  <Formula> (36)
C28H62Cl8N8

>  <MolWeight> (36)
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>  <Cat> (36)
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>  <Name> (36)
Plerixafor 8HCl (DB06809)

>  <Synonyms> (36)
AMD3100 

>  <Target> (36)
CXCR

>  <Form> (36)
Octahydrochloride 

>  <CAS> (36)
155148-31-5

>  <URL> (36)
http://www.selleckchem.com/products/plerixafor-8hcl-db06809.html

$$$$
Chloroquine phosphate.cdx
csChFnd80/10241917242D

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>  <Mol_ID> (37)
2466

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C18H32ClN3O8P2

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Chloroquine Phosphate

>  <Synonyms> (37)
N/A

>  <Target> (37)
Others

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Diphosphate

>  <CAS> (37)
50-63-5

>  <URL> (37)
http://www.selleckchem.com/products/chloroquine-phosphate.html

$$$$
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csChFnd80/10241917242D

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>  <Mol_ID> (38)
2484

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C18H22N2O

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282.38008

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NLG919

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N/A

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IDO

>  <Form> (38)
Free Base

>  <CAS> (38)
1402836-58-1

>  <URL> (38)
http://www.selleckchem.com/products/nlg919.html

$$$$
SC144.cdx
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>  <Mol_ID> (39)
2517

>  <Formula> (39)
C16H11FN6O

>  <MolWeight> (39)
322.2965432

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S7124

>  <Name> (39)
SC144

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N/A

>  <Target> (39)
P-gp

>  <Form> (39)
Free Base

>  <CAS> (39)
895158-95-9

>  <URL> (39)
http://www.selleckchem.com/products/sc144.html

$$$$
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>  <Mol_ID> (40)
2753

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C28H30F2N2O2

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HO-3867

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STAT

>  <Form> (40)
Free Base

>  <CAS> (40)
1172133-28-6

>  <URL> (40)
http://www.selleckchem.com/products/ho-3867.html

$$$$
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2761

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STAT

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Free Base

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1456632-40-8

>  <URL> (41)
http://www.selleckchem.com/products/sh-4-54.html

$$$$
INCB024360.cdx
csChFnd80/10241917242D

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IDO

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Free Base

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914471-09-3

>  <URL> (42)
http://www.selleckchem.com/products/incb024360.html

$$$$
Hydroxychloroquine sulfate.cdx
csChFnd80/10241917242D

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>  <Mol_ID> (43)
2830

>  <Formula> (43)
C18H28ClN3O5S

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433.95002

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S4430

>  <Name> (43)
Hydroxychloroquine Sulfate

>  <Synonyms> (43)
N/A

>  <Target> (43)
Autophagy

>  <Form> (43)
Sulfate

>  <CAS> (43)
747-36-4

>  <URL> (43)
http://www.selleckchem.com/products/hydroxychloroquine-sulfate.html

$$$$
SB225002.cdx
csChFnd80/10241917242D

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>  <Mol_ID> (44)
2831

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C13H10BrN3O4

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352.1402

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SB225002

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N/A

>  <Target> (44)
CXCR

>  <Form> (44)
Free Base

>  <CAS> (44)
182498-32-4

>  <URL> (44)
http://www.selleckchem.com/products/sb225002.html

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/10241917242D

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>  <Mol_ID> (45)
2863

>  <Formula> (45)
C23H21Cl2FN4O3

>  <MolWeight> (45)
491.3422432

>  <Cat> (45)
S7358

>  <Name> (45)
Poziotinib (HM781-36B)

>  <Synonyms> (45)
NOV120101

>  <Target> (45)
EGFR

>  <Form> (45)
Free Base

>  <CAS> (45)
1092364-38-9

>  <URL> (45)
http://www.selleckchem.com/products/poziotinib-hm781-36b.html

$$$$
Indoximod.cdx
csChFnd80/10241917242D

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M  END
>  <Mol_ID> (46)
2882

>  <Formula> (46)
C12H14N2O2

>  <MolWeight> (46)
218.25176

>  <Cat> (46)
S7756

>  <Name> (46)
Indoximod (NLG-8189)

>  <Synonyms> (46)
1-Methyl-D-tryptophan

>  <Target> (46)
IDO

>  <Form> (46)
Free Base

>  <CAS> (46)
110117-83-4

>  <URL> (46)
http://www.selleckchem.com/products/indoximod-nlg-8189.html

$$$$
Afatinib dimaleate.cdx
csChFnd80/10241917242D

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M  END
>  <Mol_ID> (47)
2921

>  <Formula> (47)
C32H33ClFN5O11

>  <MolWeight> (47)
718.0827232

>  <Cat> (47)
S7810

>  <Name> (47)
Afatinib (BIBW2992) Dimaleate

>  <Synonyms> (47)
N/A

>  <Target> (47)
EGFR

>  <Form> (47)
Dimaleate

>  <CAS> (47)
850140-73-7

>  <URL> (47)
http://www.selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
Epacadostat (INCB024360).cdx
csChFnd80/10241917242D

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M  END
>  <Mol_ID> (48)
2985

>  <Formula> (48)
C11H13BrFN7O4S

>  <MolWeight> (48)
438.2328232

>  <Cat> (48)
S7910

>  <Name> (48)
Epacadostat (INCB024360)

>  <Synonyms> (48)
N/A

>  <Target> (48)
IDO

>  <Form> (48)
Free Base

>  <CAS> (48)
1204669-58-8

>  <URL> (48)
http://www.selleckchem.com/products/epacadostat-incb024360.html

$$$$
FLLL32.cdx
csChFnd80/10241917242D

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M  END
>  <Mol_ID> (49)
2993

>  <Formula> (49)
C28H32O6

>  <MolWeight> (49)
464.55008

>  <Cat> (49)
S7259

>  <Name> (49)
FLLL32

>  <Synonyms> (49)
N/A

>  <Target> (49)
JAK

>  <Form> (49)
Free Base

>  <CAS> (49)
1226895-15-3

>  <URL> (49)
http://www.selleckchem.com/products/flll32.html

$$$$
PD-L1 inhibitor 2.cdx
csChFnd80/10241917242D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (50)
3006

>  <Formula> (50)
C25H29N3O3

>  <MolWeight> (50)
419.51606

>  <Cat> (50)
S7912

>  <Name> (50)
BMS202 (PD-1/PD-L1 inhibitor 2)

>  <Synonyms> (50)
N/A

>  <Target> (50)
PD-1/PD-L1

>  <Form> (50)
Free Base

>  <CAS> (50)
1675203-84-5

>  <URL> (50)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-2.html

$$$$
BBI608(Napabucasin.cdx
csChFnd80/10241917242D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (51)
3031

>  <Formula> (51)
C14H8O4

>  <MolWeight> (51)
240.21092

>  <Cat> (51)
S7977

>  <Name> (51)
Napabucasin

>  <Synonyms> (51)
N/A

>  <Target> (51)
STAT

>  <Form> (51)
Free Base

>  <CAS> (51)
83280-65-3

>  <URL> (51)
http://www.selleckchem.com/products/napabucasin-bbi608.html

$$$$
VTX-2337.cdx
csChFnd80/10241917242D

 34 37  0  0  0  0  0  0  0  0999 V2000
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 11 12  1  0  0  0  0
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 13  8  1  0  0  0  0
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 29 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (52)
3052

>  <Formula> (52)
C28H34N4O2

>  <MolWeight> (52)
458.59516

>  <Cat> (52)
S7161

>  <Name> (52)
Motolimod (VTX-2337)

>  <Synonyms> (52)
N/A

>  <Target> (52)
TLR

>  <Form> (52)
Free Base

>  <CAS> (52)
926927-61-9

>  <URL> (52)
http://www.selleckchem.com/products/motolimod-vtx-2337.html

$$$$
Resiquimod.cdx
csChFnd80/10241917242D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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 14  8  1  0  0  0  0
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 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (53)
3065

>  <Formula> (53)
C17H22N4O2

>  <MolWeight> (53)
314.38218

>  <Cat> (53)
S8133

>  <Name> (53)
Resiquimod

>  <Synonyms> (53)
R-848

>  <Target> (53)
TLR

>  <Form> (53)
Free Base

>  <CAS> (53)
144875-48-9

>  <URL> (53)
http://www.selleckchem.com/products/resiquimod.html

$$$$
SCH58261.cdx
csChFnd80/10241917242D

 26 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (54)
3089

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C18H15N7O

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SCH58261

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N/A

>  <Target> (54)
Adenosine Receptor

>  <Form> (54)
Free Base

>  <CAS> (54)
160098-96-4

>  <URL> (54)
http://www.selleckchem.com/products/sch58261.html

$$$$
STA-21.cdx
csChFnd80/10241917242D

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3091

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C19H14O4

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STA-21

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N/A

>  <Target> (55)
STAT

>  <Form> (55)
Free Base

>  <CAS> (55)
111540-00-2

>  <URL> (55)
http://www.selleckchem.com/products/sta-21.html

$$$$
BEC Hydrochloride.cdx
csChFnd80/10241917242D

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>  <Mol_ID> (56)
3099

>  <Formula> (56)
C5H13BClNO4S

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S7929

>  <Name> (56)
BEC Hydrochloride

>  <Synonyms> (56)
N/A

>  <Target> (56)
Others

>  <Form> (56)
hydrochloride salt

>  <CAS> (56)
222638-67-7

>  <URL> (56)
http://www.selleckchem.com/products/bec-hydrochloride.html

$$$$
PD-1PD-L1 inhibitor 1.cdx
csChFnd80/10241917242D

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>  <Mol_ID> (57)
3101

>  <Formula> (57)
C29H33NO5

>  <MolWeight> (57)
475.57602

>  <Cat> (57)
S7911

>  <Name> (57)
PD-1/PD-L1 inhibitor 1

>  <Synonyms> (57)
N/A

>  <Target> (57)
PD-1/PD-L1

>  <Form> (57)
Free Base

>  <CAS> (57)
1675201-83-8

>  <URL> (57)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-1.html

$$$$
ZM241385.cdx
csChFnd80/10241917242D

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>  <Mol_ID> (58)
3173

>  <Formula> (58)
C16H15N7O2

>  <MolWeight> (58)
337.336

>  <Cat> (58)
S8105

>  <Name> (58)
ZM241385

>  <Synonyms> (58)
N/A
N/A

>  <Target> (58)
Adenosine Receptor

>  <Form> (58)
Free Base

>  <CAS> (58)
139180-30-6

>  <URL> (58)
http://www.selleckchem.com/products/zm241385.html

$$$$
ATI-2341.cdx
csChFnd80/10241917242D

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M  END
>  <Mol_ID> (59)
3235

>  <Formula> (59)
C104H178N26O25S2

>  <MolWeight> (59)
2256.81532

>  <Cat> (59)
S8309

>  <Name> (59)
ATI-2341

>  <Synonyms> (59)
N/A

>  <Target> (59)
CXCR

>  <Form> (59)
Free Base

>  <CAS> (59)
1337878-62-2

>  <URL> (59)
http://www.selleckchem.com/products/ati-2341.html

$$$$
GS-9620.cdx
csChFnd80/10241917242D

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N/A

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Others

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Free Base

>  <CAS> (60)
1228585-88-3

>  <URL> (60)
http://www.selleckchem.com/products/gs-9620.html

$$$$
ZK756326.cdx
csChFnd80/10241917242D

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3250

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C21H30Cl2N2O3

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ZK756326 2HCl

>  <Synonyms> (61)
N/A

>  <Target> (61)
CXCR

>  <Form> (61)
Dihydrochloride

>  <CAS> (61)
874911-96-3

>  <URL> (61)
http://www.selleckchem.com/products/zk756326.html

$$$$
NT157.cdx
csChFnd80/10241917242D

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>  <Mol_ID> (62)
3279

>  <Formula> (62)
C16H14BrNO5S

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NT157

>  <Synonyms> (62)
N/A

>  <Target> (62)
IGF-1R

>  <Form> (62)
Free Base

>  <CAS> (62)
1384426-12-3

>  <URL> (62)
http://www.selleckchem.com/products/nt157.html

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/10241917242D

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>  <Mol_ID> (63)
3286

>  <Formula> (63)
C26H24N8O2

>  <MolWeight> (63)
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>  <Cat> (63)
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>  <Name> (63)
ARRY-380 (ONT-380)

>  <Synonyms> (63)
Tucatinib

>  <Target> (63)
HER2

>  <Form> (63)
Free Base

>  <CAS> (63)
937263-43-9

>  <URL> (63)
http://www.selleckchem.com/products/arry-380-ont-380.html

$$$$
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Free Base

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1456632-41-9

>  <URL> (65)
http://www.selleckchem.com/products/sh5-07.html

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>  <Name> (66)
AMD3465 hexahydrobromide

>  <Synonyms> (66)
N/A

>  <Target> (66)
CXCR

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HBr

>  <CAS> (66)
185991-07-5, 185991-24-6 (free base)

>  <URL> (66)
http://www.selleckchem.com/products/amd3465.html

$$$$
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Atractylenolide I

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Immunology & Inflammation related

>  <Form> (67)
Free Base

>  <CAS> (67)
73069-13-3
73069-13-3

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

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M  END
>  <Mol_ID> (68)
3392

>  <Formula> (68)
C35H56N10O15

>  <MolWeight> (68)
856.87714

>  <Cat> (68)
S8501

>  <Name> (68)
DAPTA

>  <Synonyms> (68)
D-Ala-peptide T-amide, peptide T

>  <Target> (68)
gp120 Bal-CCR5,CM235-CCR5

>  <Form> (68)
free base

>  <CAS> (68)
106362-34-9

>  <URL> (68)
http://www.selleckchem.com/products/dapta.html

$$$$
AUNP-12.cdx
csChFnd80/10241917242D

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>  <Mol_ID> (69)
3406

>  <Formula> (69)
C142H226N40O48

>  <MolWeight> (69)
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>  <Cat> (69)
S8549

>  <Name> (69)
AUNP-12

>  <Synonyms> (69)
Aur-012, Aurigene-012, Aurigene NP-12

>  <Target> (69)
PD-1

>  <CAS> (69)
1353563-85-5

>  <URL> (69)
http://www.selleckchem.com/products/aunp-12.html

$$$$
HJC0152.cdx
csChFnd80/10241917242D

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>  <Mol_ID> (70)
3440

>  <Formula> (70)
C15H14Cl3N3O4

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406.64836

>  <Cat> (70)
S8561

>  <Name> (70)
HJC0152

>  <Synonyms> (70)
N/A

>  <Target> (70)
STAT3

>  <Form> (70)
hydrochloride

>  <CAS> (70)
1420290-99-8

>  <URL> (70)
http://www.selleckchem.com/products/hjc0152.html

$$$$
PRN1371.cdx
csChFnd80/10241917242D

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>  <Mol_ID> (71)
3444

>  <Formula> (71)
C26H30Cl2N6O4

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>  <Name> (71)
PRN1371

>  <Synonyms> (71)
N/A

>  <Target> (71)
FGFR1,FGFR2,FGFR3,CSF1R,FGFR4

>  <Form> (71)
free base

>  <CAS> (71)
1802929-43-6

>  <URL> (71)
http://www.selleckchem.com/products/prn1371.html

$$$$
Reparixin(Repertaxin).cdx
csChFnd80/10241917242D

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Reparixin (Repertaxin)

>  <Synonyms> (72)
N/A

>  <Target> (72)
CXCR1,CXCR2,CXCL8

>  <Form> (72)
free base

>  <CAS> (72)
266359-83-5

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

$$$$
CA-4948.cdx
csChFnd80/10241917242D

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>  <Mol_ID> (73)
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>  <Formula> (73)
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IRAK4

>  <Form> (73)
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>  <CAS> (73)
1801343-74-7

>  <URL> (73)
http://www.selleckchem.com/products/ca-4948.html

$$$$
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M  END
>  <Mol_ID> (74)
3493

>  <Formula> (74)
C12H9FN2O2

>  <MolWeight> (74)
232.2104632

>  <Cat> (74)
S8657

>  <Name> (74)
PF-06840003

>  <Synonyms> (74)
EOS200271

>  <Target> (74)
IDO-1

>  <Form> (74)
free base

>  <CAS> (74)
198474-05-4

>  <URL> (74)
http://www.selleckchem.com/products/pf-06840003.html

$$$$
C188-9.cdx
csChFnd80/10241917242D

 34 38  0  0  0  0  0  0  0  0999 V2000
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (75)
3498

>  <Formula> (75)
C27H21NO5S

>  <MolWeight> (75)
471.52434

>  <Cat> (75)
S8605

>  <Name> (75)
C188-9

>  <Synonyms> (75)
N/A

>  <Target> (75)
STAT3

>  <Form> (75)
free base

>  <CAS> (75)
432001-19-9

>  <URL> (75)
http://www.selleckchem.com/products/c188-9.html

$$$$
IDO inhibitor 1.cdx
csChFnd80/10241917242D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (76)
3572

>  <Formula> (76)
C29H35N7O

>  <MolWeight> (76)
497.6345

>  <Cat> (76)
S8557

>  <Name> (76)
IDO inhibitor 1

>  <Synonyms> (76)
N/A

>  <Target> (76)
IDO

>  <Form> (76)
free base

>  <CAS> (76)
1668565-74-9

>  <URL> (76)
http://www.selleckchem.com/products/mucic-acid.html

$$$$
GO-203.cdx
csChFnd80/10241917242D

167165  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (77)
3610

>  <Formula> (77)
C89H171F3N52O21S2

>  <MolWeight> (77)
2426.7710496

>  <Cat> (77)
S8674

>  <Name> (77)
GO-203

>  <Synonyms> (77)
N/A

>  <Target> (77)
MUC-1C

>  <Form> (77)
trifluoroacetate

>  <CAS> (77)
1222186-26-6

>  <URL> (77)
http://www.selleckchem.com/products/go-203.html

$$$$
S5249 Coptisine chloride.cdx
csChFnd80/10241917242D

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 22 24  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (78)
3676

>  <Formula> (78)
C19H14ClNO4

>  <MolWeight> (78)
355.77176

>  <Cat> (78)
S5249

>  <Name> (78)
Coptisine chloride

>  <Synonyms> (78)
Q-100696, NSC-119754

>  <Target> (78)
Others

>  <Form> (78)
chloride 

>  <CAS> (78)
6020-18-4

>  <URL> (78)
http://selleckchem.com/products/coptisine-chloride.html

$$$$
Cu-CPT22.cdx
csChFnd80/10241917242D

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.8355    7.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8355    5.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6269    4.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    5.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    7.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6183    7.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9399    7.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2872    7.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9017    6.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9690    1.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8593    0.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2402    1.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1305    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5113    0.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  2  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
  6 15  1  0  0  0  0
  5 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (79)
3731

>  <Formula> (79)
C19H22O7

>  <MolWeight> (79)
362.37378

>  <Cat> (79)
S8677

>  <Name> (79)
Cu-CPT22

>  <Synonyms> (79)
N/A

>  <Target> (79)
TLR

>  <Form> (79)
free base

>  <CAS> (79)
1416324-85-0

>  <URL> (79)
http://selleckchem.com/products/cu-cpt22.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/10241917242D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.3849    5.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6945    5.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9662    4.0557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5592    6.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9184    5.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719    3.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9178    7.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1143    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6644    2.2266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.2045    2.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1285    7.2438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0907    5.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (80)
3759

>  <Formula> (80)
C10H16N5O8P

>  <MolWeight> (80)
365.236501

>  <Cat> (80)
S5284

>  <Name> (80)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (80)
5'-Adenylic acid, 5'-AMP

>  <Target> (80)
AMPK

>  <Form> (80)
hydrate 

>  <CAS> (80)
18422-05-4

>  <URL> (80)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
DCC-2618.cdx
csChFnd80/10241917242D

 36 40  0  0  0  0  0  0  0  0999 V2000
    4.8205    3.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3697    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3697    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5822    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7946    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7946    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5822    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4324    5.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0324    5.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3923    1.2124    0.0000 N   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
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  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 19 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 19  1  0  0  0  0
  7 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35  7  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (81)
3843

>  <Formula> (81)
C26H21F2N5O3

>  <MolWeight> (81)
489.4734464

>  <Cat> (81)
S8721

>  <Name> (81)
DCC-2618

>  <Synonyms> (81)
N/A

>  <Target> (81)
c-Kit

>  <CAS> (81)
 1225278-16-9

>  <URL> (81)
http://selleckchem.com/products/dcc-2618.html

$$$$
S5358 Regadenoson.cdx
csChFnd80/10241917242D

 28 31  0  0  0  0  0  0  0  0999 V2000
    9.0566    4.9287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7160    5.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7160    6.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2661    6.8078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0753    7.1886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0537    4.6835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6529    2.4746    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8887    6.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8026    3.1234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2089    1.4036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  6  0  0  0
 11  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  2  2  0  0  0  0
 10  3  1  0  0  0  0
 12  3  1  0  0  0  0
  5  4  2  0  0  0  0
  7  5  1  0  0  0  0
  9  5  1  0  0  0  0
 14  6  1  0  0  0  0
  8  6  1  0  0  0  0
  7 14  2  0  0  0  0
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 15  9  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 10 23  1  1  0  0  0
 18 12  1  0  0  0  0
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 17 25  1  1  0  0  0
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 21 19  2  0  0  0  0
 24 19  1  0  0  0  0
 28 24  1  0  0  0  0
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M  END
>  <Mol_ID> (82)
4059

>  <Formula> (82)
C15H18N8O5

>  <MolWeight> (82)
390.35402

>  <Cat> (82)
S5358

>  <Name> (82)
Regadenoson

>  <Synonyms> (82)
CVT-3146, Lexiscan

>  <Target> (82)
Adenosine Receptor

>  <Form> (82)
free base

>  <CAS> (82)
313348-27-5  

>  <URL> (82)
http://selleckchem.com/products/regadenoson.html

$$$$
BMS-986205.cdx
csChFnd80/10241917242D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (83)
4072

>  <Formula> (83)
C24H24ClFN2O

>  <MolWeight> (83)
410.9115632

>  <Cat> (83)
S8629

>  <Synonyms> (83)
N/A

>  <Target> (83)
IDO1

>  <Form> (83)
free base

>  <CAS> (83)
1923833-60-6

>  <URL> (83)
http://selleckchem.com/products/.html

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/10241917242D

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M  END
>  <Mol_ID> (84)
4651

>  <Formula> (84)
C43H44ClFN4O11S3

>  <MolWeight> (84)
943.4760632

>  <Cat> (84)
S5241

>  <Name> (84)
Lapatinib ditosylate monohydrate

>  <Synonyms> (84)
Tykerb Ditosylate

>  <Target> (84)
Others

>  <Form> (84)
ditosylate monohydrate

>  <CAS> (84)
388082-78-8

>  <URL> (84)
http://selleckchem.com/products/.html

$$$$

csChFnd80/10241917242D

 29 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (85)
4800

>  <Formula> (85)
C17H10F9NO2

>  <MolWeight> (85)
431.2524288

>  <Cat> (85)
S5775

>  <Name> (85)
SR1078

>  <Synonyms> (85)
N/A

>  <Target> (85)
Others

>  <Form> (85)
Free Base

>  <CAS> (85)
1246525-60-9

>  <URL> (85)
http://www.selleckchem.com/products/sr1078.html

$$$$

csChFnd80/10241917242D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  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  8  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 12 22  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (86)
4953

>  <Formula> (86)
C17H13ClN2O3

>  <MolWeight> (86)
328.74972

>  <Cat> (86)
S8813

>  <Name> (86)
LIT-927

>  <Synonyms> (86)
N/A

>  <Target> (86)
CXCR

>  <Form> (86)
Free Base

>  <CAS> (86)
2172879-52-4

>  <URL> (86)
http://www.selleckchem.com/products/lit-927.html

$$$$
