OP-3633
HIT212672760
sdf文件结构编辑类似物检索
HIT ID: HIT212672760
Cas No: 2102494-14-2
分子式: C30H39NO2
分子量: 445.647
常用名: OP-3633
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: 5.882572
IUPAC: (1S,3aS,3bS,9aR,9bR,10S,11aS)-10-[4-(dimethylamino)phenyl]-1-hydroxy-9a,11a-dimethyl-1-(prop-1-yn-1-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC: (1S,3aS,3bS,9aR,9bR,10S,11aS)-10-[4-(dimethylamino)phenyl]-1-hydroxy-9a,11a-dimethyl-1-(prop-1-yn-1-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
SMILES: [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:31|
SMILES: [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:31|
InChI key: LJUSMSPTDKGAFT-LMNHVJTASA-N
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