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Archives July 2017

Uncategorized

Omipalisib(ID:10146-101)

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Omipalisib(ID:10146-101) 864070-44-0

HMS LINCS ID: 10146-101
Name: Omipalisib
Alternative Names: GSK2126458; GSK2126458A
LINCS ID:
PubChem CID: 25167777
ChEBI ID:
ChEMBL ID:
Molecular Mass: 505.10
InChi: InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
InChi Key: CGBJSGAELGCMKE-UHFFFAOYSA-N
SMILES: COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-05-06

PMID: 11243577

Uncategorized

Olaparib(ID:10144-101)

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Olaparib(ID:10144-101) ABT 627

HMS LINCS ID: 10144-101
Name: Olaparib
Alternative Names: AZD2281; KU-0059436
LINCS ID: LSM-1145
PubChem CID: 23725625
ChEBI ID:
ChEMBL ID:
Molecular Mass: 434.18
InChi: InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)
InChi Key: FDLYAMZZIXQODN-UHFFFAOYSA-N
SMILES: C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 23565235

Uncategorized

BMS 777607(ID:10143-101)

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BMS 777607(ID:10143-101) ABT627

HMS LINCS ID: 10143-101
Name: BMS 777607
Alternative Names:
LINCS ID: LSM-1144
PubChem CID: 24794418
ChEBI ID:
ChEMBL ID:
Molecular Mass: 512.11
InChi: InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
InChi Key: VNBRGSXVFBYQNN-UHFFFAOYSA-N
SMILES: CCOC1=C(C(=O)N(C=C1)C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 24334068

Uncategorized

Trametinib(ID:10142-101)

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Trametinib(ID:10142-101) ABT-627

HMS LINCS ID: 10142-101
Name: Trametinib
Alternative Names: GSK-1120212; GSK1120212; GSK1120212B; JTP-74057
LINCS ID: LSM-1143
PubChem CID: 11707110
ChEBI ID:
ChEMBL ID:
Molecular Mass: 615.08
InChi: InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)
InChi Key: LIRYPHYGHXZJBZ-UHFFFAOYSA-N
SMILES: CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC(=CC=C4)NC(=O)C)C5CC5
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-05-06

PMID: 8012715

Uncategorized

Fedratinib(ID:10141-101)

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Fedratinib(ID:10141-101) 195733-43-8

HMS LINCS ID: 10141-101
Name: Fedratinib
Alternative Names: SAR 302503; SAR-302503; SAR302503; TG 101348; Tg-101348; TG101348
LINCS ID: LSM-1142
PubChem CID: 16722836
ChEBI ID:
ChEMBL ID:
Molecular Mass: 524.26
InChi: InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)
InChi Key: JOOXLOJCABQBSG-UHFFFAOYSA-N
SMILES: CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2017-05-12

PMID: 9349523

Uncategorized

Momelotinib(ID:10140-101)

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Momelotinib(ID:10140-101) γ-Vinyl-GABA

HMS LINCS ID: 10140-101
Name: Momelotinib
Alternative Names: CYT387
LINCS ID: LSM-1141
PubChem CID: 25062766
ChEBI ID:
ChEMBL ID:
Molecular Mass: 414.18
InChi: InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)
InChi Key: ZVHNDZWQTBEVRY-UHFFFAOYSA-N
SMILES: C1COCCN1C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)C(=O)NCC#N
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-07-12

PMID: 10780964

Uncategorized

AZD-1480(ID:10139-101)

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AZD-1480(ID:10139-101) Lucitanib

HMS LINCS ID: 10139-101
Name: AZD-1480
Alternative Names:
LINCS ID: LSM-1140
PubChem CID: 46861588
ChEBI ID:
ChEMBL ID:
Molecular Mass: 348.10
InChi: InChI=1S/C14H14ClFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)
InChi Key: PDOQBOJDRPLBQU-UHFFFAOYSA-N
SMILES: CC1=CC(=NN1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=N3)F
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 7608899

Uncategorized

Ruxolitinib(ID:10138-105)

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Ruxolitinib(ID:10138-105) E3810

HMS LINCS ID: 10138-105
Name: Ruxolitinib
Alternative Names:
LINCS ID: LSM-1139
PubChem CID: 25126798
ChEBI ID:
ChEMBL ID:
Molecular Mass: 306.16
InChi: InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
InChi Key: HFNKQEVNSGCOJV-OAHLLOKOSA-N
SMILES: C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-07-12

PMID: 17376972

Uncategorized

BMS509744(ID:10137-101)

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BMS509744(ID:10137-101) E 3810

HMS LINCS ID: 10137-101
Name: BMS509744
Alternative Names: BMS-509744
LINCS ID: LSM-1137
PubChem CID: 11467730
ChEBI ID:
ChEMBL ID:
Molecular Mass: 623.26
InChi: InChI=1S/C32H41N5O4S2/c1-20-16-26(41-7)25(30(40)37-14-12-36(13-15-37)22(3)38)17-27(20)42-28-19-34-31(43-28)35-29(39)24-10-8-23(9-11-24)18-33-21(2)32(4,5)6/h8-11,16-17,19,21,33H,12-15,18H2,1-7H3,(H,34,35,39)
InChi Key: ZHXNIYGJAOPMSO-UHFFFAOYSA-N
SMILES: CC1=C(C=C(C(=C1)OC)C(=O)N2CCN(CC2)C(=O)C)SC3=CN=C(S3)NC(=O)C4=CC=C(C=C4)CNC(C)C(C)(C)C
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 17626908

Uncategorized

TPCA-1(ID:10136-101)

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TPCA-1(ID:10136-101) E-3810

HMS LINCS ID: 10136-101
Name: TPCA-1
Alternative Names:
LINCS ID: LSM-1136
PubChem CID: 9903786
ChEBI ID:
ChEMBL ID:
Molecular Mass: 279.05
InChi: InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)
InChi Key: SAYGKHKXGCPTLX-UHFFFAOYSA-N
SMILES: C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 19211900