PARP-2-IN-1
HIT212666412
sdf文件结构编辑类似物检索
HIT ID: HIT212666412
Cas No: 2115698-83-2
分子式: C21H19F4N5O3
分子量: 465.409
常用名: PARP-2-IN-1
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 2.0452182
IUPAC: (3S)-N-{5-[(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl)methyl]-2-fluoropyridin-3-yl}-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
IUPAC: (3S)-N-{5-[(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl)methyl]-2-fluoropyridin-3-yl}-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILES: Fc1ncc(Cn2c3ccccc3c(=O)[nH]c2=O)cc1NC(=O)[C@H]1CCN(CC(F)(F)F)C1
SMILES: Fc1ncc(Cn2c3ccccc3c(=O)[nH]c2=O)cc1NC(=O)[C@H]1CCN(CC(F)(F)F)C1
InChI key: JZKVDRXHUJSBJE-ZDUSSCGKSA-N
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
151008-10周 购物车
Mcule
SC
107144-5周 购物车
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