BMS-986251
HIT214323521
sdf文件结构编辑类似物检索
HIT ID: HIT214323521
Cas No: 2460133-35-9
分子式: C30H29F8NO5S
分子量: 667.61
常用名: BMS-986251
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,3S,4R)-4-[(3aR,9bR)-9b-(4-fluorobenzenesulfonyl)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H,2H,3H,3aH,4H,5H,9bH-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid
IUPAC: (1R,3S,4R)-4-[(3aR,9bR)-9b-(4-fluorobenzenesulfonyl)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H,2H,3H,3aH,4H,5H,9bH-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid
SMILES: [H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F
SMILES: [H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F
InChI key: JQORWGARJVSRBA-QOTTZFGFSA-N
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