GSK2578999A
HIT212712750
sdf文件结构编辑类似物检索
HIT ID: HIT212712750
Cas No: 1422355-59-6
分子式: C46H62ClNO7
分子量: 776.45
常用名: GSK2578999A
氢键受体数 (HBA): 6
氢键供体数 (HBD): 2
LogP: 9.6596575
IUPAC: 4-{[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-({[1-(4-chlorophenyl)cyclopropyl]carbamoyl}carbonyl)-5a,5b,8,8,11a-pentamethyl-2-oxo-1-(propan-2-yl)-2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,9H,10H,11H,11aH,11bH,12H,13H,13aH-cyclopenta[a]chrysen-9-yl]oxy}-2,2-dimethyl-4-oxobutanoic acid
IUPAC: 4-{[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-({[1-(4-chlorophenyl)cyclopropyl]carbamoyl}carbonyl)-5a,5b,8,8,11a-pentamethyl-2-oxo-1-(propan-2-yl)-2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,9H,10H,11H,11aH,11bH,12H,13H,13aH-cyclopenta[a]chrysen-9-yl]oxy}-2,2-dimethyl-4-oxobutanoic acid
SMILES: [H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@]1(CC(=O)C(C(C)C)=C21)C(=O)C(=O)NC1(CC1)c1ccc(Cl)cc1 |t:44|
SMILES: [H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@]1(CC(=O)C(C(C)C)=C21)C(=O)C(=O)NC1(CC1)c1ccc(Cl)cc1 |t:44|
InChI key: IUWUTHQKJSMUDX-GBIHXZFOSA-N
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2050010-14周 购物车
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