Alisertib Sodium
HIT219592129
sdf文件结构编辑类似物检索
HIT ID: HIT219592129
Cas No: 1028486-06-7
分子式: C27H19ClFN4NaO4
分子量: 540.91
常用名: Alisertib Sodium
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: sodium 4-{[13-chloro-10-(2-fluoro-6-methoxyphenyl)-3,5,9-triazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,9,12,14-heptaen-4-yl]amino}-2-methoxybenzoate
IUPAC: sodium 4-{[13-chloro-10-(2-fluoro-6-methoxyphenyl)-3,5,9-triazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,9,12,14-heptaen-4-yl]amino}-2-methoxybenzoate
SMILES: [Na+].COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C([O-])=O
SMILES: [Na+].COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C([O-])=O
InChI key: AIUYVPGHBMKGAC-UHFFFAOYSA-M
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