Name: GSK2838232
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212661352
Cas No:1443460-91-0
常用名:GSK2838232
IUPAC:4-{[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-[(1R)-2-{[(4-chlorophenyl)methyl][2-(dimethylamino)ethyl]amino}-1-hydroxyethyl]-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-[(1R)-2-{[(4-chlorophenyl)methyl][2-(dimethylamino)ethyl]amino}-1-hydroxyethyl]-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
InChI key:MEOWKUXNVNJAMY-PZFKGGKESA-N

分子式:C48H73ClN2O6
分子量:809.57
氢键供体数 (HBD):2
氢键受体数 (HBA):7
LogP:6.4523497
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@@H](O)CN(CCN(C)C)Cc1ccc(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@@H](O)CN(CCN(C)C)Cc1ccc(Cl)cc1 |t:44|

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