(2S,3R)-Voruciclib
HIT212666659
sdf文件结构编辑类似物检索
HIT ID: HIT212666659
Cas No: 1253731-24-6
分子式: C22H19ClF3NO5
分子量: 469.84
常用名: (2S,3R)-Voruciclib
氢键受体数 (HBA): 6
氢键供体数 (HBD): 3
LogP: 3.2828312
IUPAC: 2-[2-chloro-4-(trifluoromethyl)phenyl]-5,7-dihydroxy-8-[(2S,3R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4H-chromen-4-one
IUPAC: 2-[2-chloro-4-(trifluoromethyl)phenyl]-5,7-dihydroxy-8-[(2S,3R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4H-chromen-4-one
SMILES: CN1CC[C@@H]([C@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F
SMILES: CN1CC[C@@H]([C@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F
InChI key: MRPGRAKIAJJGMM-GXTWGEPZSA-N
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