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TGX221(ID:10171-101)

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TGX221(ID:10171-101) BMN-673

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: 11420571

Uncategorized

Omipalisib(ID:10146-101)

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Omipalisib(ID:10146-101) ONT-380

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: 12421645

Uncategorized

Ruxolitinib(ID:10138-105)

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Ruxolitinib(ID:10138-105) ARRY-380

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: 23297162

Uncategorized

MG-132(ID:10107-101)

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MG-132(ID:10107-101) Apalutamide

HMS LINCS ID: 10107-101
Name: MG-132
Alternative Names:
LINCS ID: LSM-1107
PubChem CID: 462382
ChEBI ID:
ChEMBL ID: 64925
Molecular Mass: 475.30
InChi: InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1
InChi Key: TZYWCYJVHRLUCT-VABKMULXSA-N
SMILES: CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1
Relevant Citations:
Date Publicly Available:
Most Recent Update: 2016-04-04

PMID: 3005901