Name: Toripristone
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218849892
Cas No:91935-26-1
常用名:Toripristone
别名:RU-40555
IUPAC:(1S,3aS,3bS,10R,11aS)-1-hydroxy-11a-methyl-10-{4-[methyl(propan-2-yl)amino]phenyl}-1-(prop-1-yn-1-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC:(1S,3aS,3bS,10R,11aS)-1-hydroxy-11a-methyl-10-{4-[methyl(propan-2-yl)amino]phenyl}-1-(prop-1-yn-1-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
InChI key:LOIYXTZQBQVHSF-PABOLRIOSA-N

分子式:C31H39NO2
分子量:457.658
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C(C)C
SMILES:[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C(C)C

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