HER2-IN-13
HIT218850689
sdf文件结构编辑类似物检索
HIT ID: HIT218850689
Cas No: 2414056-34-9
分子式: C26H23ClF2N8O3
分子量: 568.97
常用名: HER2-IN-13
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: N-(3-chloro-4-{[1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy}phenyl)-5-{[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy}-6-methoxyquinazolin-4-amine
IUPAC: N-(3-chloro-4-{[1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy}phenyl)-5-{[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy}-6-methoxyquinazolin-4-amine
SMILES: COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(Cl)c3)c2c1O[C@@H]1CCN(C)CC1(F)F
SMILES: COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cn4)c(Cl)c3)c2c1O[C@@H]1CCN(C)CC1(F)F
InChI key: OCTIIGKPLDEYJH-HXUWFJFHSA-N
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