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Archives July 2017

Uncategorized

Brivanib(ID:10177-101)

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Brivanib(ID:10177-101) 1233339-22-4

HMS LINCS ID: 10177-101
Name: Brivanib
Alternative Names: BMS-540215
LINCS ID: LSM-1178
PubChem CID: 11451527
ChEBI ID:
ChEMBL ID:
Molecular Mass: 370.14
InChi: InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3
InChi Key: WCWUXEGQKLTGDX-UHFFFAOYSA-N
SMILES: CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)OCC(C)O)C
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 16298400

Uncategorized

Y-27632(ID:10176-101)

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Y-27632(ID:10176-101) 850664-21-0

HMS LINCS ID: 10176-101
Name: Y-27632
Alternative Names:
LINCS ID: LSM-1177
PubChem CID: 5711
ChEBI ID:
ChEMBL ID:
Molecular Mass: 247.17
InChi: InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)
InChi Key: IYOZTVGMEWJPKR-UHFFFAOYSA-N
SMILES: CC(C1CCC(CC1)C(=O)NC2=CC=NC=C2)N
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 17625499

Uncategorized

Sunitinib(ID:10175-106)

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Sunitinib(ID:10175-106) FRAX486

HMS LINCS ID: 10175-106
Name: Sunitinib
Alternative Names: Sutent; SU11248
LINCS ID: LSM-1176
PubChem CID: 3086686
ChEBI ID:
ChEMBL ID: 535
Molecular Mass: 398.21
InChi: InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)
InChi Key: WINHZLLDWRZWRT-UHFFFAOYSA-N
SMILES: CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 20217056

Uncategorized

A 769662(ID:10174-101)

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A 769662(ID:10174-101) GRT-6005

HMS LINCS ID: 10174-101
Name: A 769662
Alternative Names:
LINCS ID: LSM-1175
PubChem CID: 54708532
ChEBI ID:
ChEMBL ID: 512504
Molecular Mass: 360.06
InChi: InChI=1S/C20H12N2O3S/c21-9-14-18(24)17-15(10-26-20(17)22-19(14)25)12-7-5-11(6-8-12)13-3-1-2-4-16(13)23/h1-8,10,23H,(H2,22,24,25)
InChi Key: CTESJDQKVOEUOY-UHFFFAOYSA-N
SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)C3=CSC4=C3C(=C(C(=O)N4)C#N)O)O
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 17948978

Uncategorized

GSK1059615(ID:10172-101)

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GSK1059615(ID:10172-101) Cebranopadol

HMS LINCS ID: 10172-101
Name: GSK1059615
Alternative Names:
LINCS ID: LSM-1173
PubChem CID: 71317162
ChEBI ID:
ChEMBL ID:
Molecular Mass: 333.06
InChi: InChI=1S/C18H11N3O2S/c22-17-16(24-18(23)21-17)10-11-1-2-15-14(9-11)13(5-8-20-15)12-3-6-19-7-4-12/h1-10H,(H,21,22,23)
InChi Key: QDITZBLZQQZVEE-UHFFFAOYSA-N
SMILES: C1=CC2=NC=CC(=C2C=C1C=C3C(=O)NC(=O)S3)C4=CC=NC=C4
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 25837696

Uncategorized

TGX221(ID:10171-101)

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TGX221(ID:10171-101) SCH-900776

HMS LINCS ID: 10171-101
Name: TGX221
Alternative Names:
LINCS ID: LSM-1172
PubChem CID: 9907093
ChEBI ID:
ChEMBL ID:
Molecular Mass: 364.19
InChi: InChI=1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3
InChi Key: CPRAGQJXBLMUEL-UHFFFAOYSA-N
SMILES: CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 27581523

Uncategorized

JNJ 26854165(ID:10170-101)

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JNJ 26854165(ID:10170-101) SCH 900776

HMS LINCS ID: 10170-101
Name: JNJ 26854165
Alternative Names:
LINCS ID: LSM-1171
PubChem CID: 60167550
ChEBI ID:
ChEMBL ID:
Molecular Mass: 328.17
InChi: InChI=1S/C21H20N4/c1-2-7-21-20(6-1)16(15-24-21)8-13-23-18-4-3-5-19(14-18)25-17-9-11-22-12-10-17/h1-7,9-12,14-15,23-24H,8,13H2,(H,22,25)
InChi Key: JCKLHFMOFAYQHE-UHFFFAOYSA-N
SMILES: C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=CC(=C3)NC4=CC=NC=C4
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 21185318

Uncategorized

Doramapimod(ID:10169-101)

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Doramapimod(ID:10169-101) GDC0199

HMS LINCS ID: 10169-101
Name: Doramapimod
Alternative Names: BIRB 796
LINCS ID: LSM-1170
PubChem CID: 156422
ChEBI ID:
ChEMBL ID:
Molecular Mass: 527.29
InChi: InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
InChi Key: MVCOAUNKQVWQHZ-UHFFFAOYSA-N
SMILES: CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 21549693

Uncategorized

VX-745(ID:10168-101)

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VX-745(ID:10168-101) ABT 199

HMS LINCS ID: 10168-101
Name: VX-745
Alternative Names:
LINCS ID: LSM-1169
PubChem CID: 3038525
ChEBI ID:
ChEMBL ID:
Molecular Mass: 434.98
InChi: InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H
InChi Key: VEPKQEUBKLEPRA-UHFFFAOYSA-N
SMILES: C1=CC(=C(C(=C1)Cl)C2=C3C=CC(=NN3C=NC2=O)SC4=C(C=C(C=C4)F)F)Cl
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 17428998

Uncategorized

SB 203580(ID:10167-101)

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SB 203580(ID:10167-101) ABT199

HMS LINCS ID: 10167-101
Name: SB 203580
Alternative Names: RWJ 64809; PB 203580
LINCS ID: LSM-1168
PubChem CID: 176155
ChEBI ID:
ChEMBL ID:
Molecular Mass: 377.10
InChi: InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
InChi Key: CDMGBJANTYXAIV-UHFFFAOYSA-N
SMILES: CS(=O)C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 22833193