Org 20599
HIT214316567
sdf文件结构编辑类似物检索
HIT ID: HIT214316567
Cas No: 156685-94-8
分子式: C25H40ClNO3
分子量: 438.05
常用名: Org 20599
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-[(1S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-8-(morpholin-4-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-chloroethan-1-one
IUPAC: 1-[(1S,3aS,3bR,5aS,7S,8S,9aS,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-8-(morpholin-4-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-chloroethan-1-one
SMILES: [H][C@@]12CC[C@H](C(=O)CCl)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)[C@H](C[C@]12C)N1CCOCC1
SMILES: [H][C@@]12CC[C@H](C(=O)CCl)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)[C@H](C[C@]12C)N1CCOCC1
InChI key: NZFNABGZEQPYBX-PMBZPZLSSA-N
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