Ziritaxestat
HIT212657971
sdf文件结构编辑类似物检索
HIT ID: HIT212657971
Cas No: 1628260-79-6
分子式: C30H33FN8O2S
分子量: 588.71
常用名: Ziritaxestat
氢键受体数 (HBA): 8
氢键供体数 (HBD): 1
LogP: 3.636822
IUPAC: 2-[(2-ethyl-6-{4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl}-8-methylimidazo[1,2-a]pyridin-3-yl)(methyl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
IUPAC: 2-[(2-ethyl-6-{4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl}-8-methylimidazo[1,2-a]pyridin-3-yl)(methyl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILES: CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1
SMILES: CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1
InChI key: REQQVBGILUTQNN-UHFFFAOYSA-N
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