Asoprisnil
HIT212669365
sdf文件结构编辑类似物检索
HIT ID: HIT212669365
Cas No: 199396-76-4
分子式: C28H35NO4
分子量: 449.591
常用名: Asoprisnil
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 4.278864
IUPAC: (1S,3aS,3bS,10R,11aS)-10-{4-[(E)-(hydroxyimino)methyl]phenyl}-1-methoxy-1-(methoxymethyl)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC: (1S,3aS,3bS,10R,11aS)-10-{4-[(E)-(hydroxyimino)methyl]phenyl}-1-methoxy-1-(methoxymethyl)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
SMILES: [H][C@@]12CC[C@](COC)(OC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(\C=N\O)cc1 |c:15,21|
SMILES: [H][C@@]12CC[C@](COC)(OC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(\C=N\O)cc1 |c:15,21|
InChI key: GJMNAFGEUJBOCE-MEQIQULJSA-N
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