BMS-986158
2-[3-(3,5-dimethyltriazol-4-yl)-5-[(S)-oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol
Molecular Identity
BMS-986158
2-[3-(3,5-dimethyltriazol-4-yl)-5-[(S)-oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol
PubChem CID: 118196485
2D Structure
Properties
C30H33N5O2
Molecular Formula
495.60
Molecular Weight
g/mol
495.2634
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
78
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
769
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
BMS-986158Bet inhibitor BMS-986158BMS986158UNII-X8BW0MQ5PI2-[3-(3,5-dimethyltriazol-4-yl)-5-[(S)-oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-olcompound 18 [PMID: 34543572]2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-olcompound 18 (PMID: 34543572)2-[3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl]propan-2-ol5H-Pyrido(3,2-b)indole-7-methanol, 3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-alpha,alpha-dimethyl-5-((S)-phenyl(tetrahydro-2H-pyran-4-yl)methyl)-2-(3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-((S)-(oxan-4-yl)(phenyl)methyl)-5H-pyrido(3,2-b)indol-7-yl)propan-2-ol2-(3-(3,5-dimethyltriazol-4-yl)-5-((S)-oxan-4-yl(phenyl)methyl)pyrido(3,2-b)indol-7-yl)propan-2-olRefChem:1207715H-PYRIDO(3,2-B)INDOLE-7-METHANOL, 3-(1,4-DIMETHYL-1H-1,2,3-TRIAZOL-5-YL)-.ALPHA.,.ALPHA.-DIMETHYL-5-((S)-PHENYL(TETRAHYDRO-2H-PYRAN-4-YL)METHYL)-1800340-40-2
Data from PubChem (NCBI)
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