BMS986187
HIT106424296
sdf文件结构编辑类似物检索
HIT ID: HIT106424296
Cas No: 684238-37-7
分子式: C31H34O4
分子量: 470.609
常用名: BMS986187
氢键受体数 (HBA): 6
氢键供体数 (HBD): 0
LogP: 6.0784
IUPAC: 3,3,6,6-tetramethyl-9-{4-[(2-methylphenyl)methoxy]phenyl}-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione
IUPAC: 3,3,6,6-tetramethyl-9-{4-[(2-methylphenyl)methoxy]phenyl}-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione
SMILES: Cc1ccccc1COc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 |c:29,t:18|
SMILES: Cc1ccccc1COc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 |c:29,t:18|
InChI key: UEKIYVKPQNKSDI-UHFFFAOYSA-N
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