BI-1950
HIT212669463
sdf文件结构编辑类似物检索
HIT ID: HIT212669463
Cas No: 1159724-42-1
分子式: C32H26Cl2FN7O3
分子量: 646.5
常用名: BI-1950
氢键受体数 (HBA): 6
氢键供体数 (HBD): 2
LogP: 4.8282924
IUPAC: (2S)-2-{[(3R)-3-[(4-cyanophenyl)methyl]-1-(3,5-dichloro-4-fluorophenyl)-3-methyl-2-oxo-1H,2H,3H-imidazo[1,2-a][1,3]diazol-5-yl]formamido}-N-[1-(pyridin-2-yl)cyclopropyl]propanamide
IUPAC: (2S)-2-{[(3R)-3-[(4-cyanophenyl)methyl]-1-(3,5-dichloro-4-fluorophenyl)-3-methyl-2-oxo-1H,2H,3H-imidazo[1,2-a][1,3]diazol-5-yl]formamido}-N-[1-(pyridin-2-yl)cyclopropyl]propanamide
SMILES: C[C@H](NC(=O)c1cnc2N(C(=O)[C@@](C)(Cc3ccc(cc3)C#N)n12)c1cc(Cl)c(F)c(Cl)c1)C(=O)NC1(CC1)c1ccccn1
SMILES: C[C@H](NC(=O)c1cnc2N(C(=O)[C@@](C)(Cc3ccc(cc3)C#N)n12)c1cc(Cl)c(F)c(Cl)c1)C(=O)NC1(CC1)c1ccccn1
InChI key: JZTTUZXIQIRVAB-FZEVHQGJSA-N
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