ABT-491 free base
HIT212714305
sdf文件结构编辑类似物检索
HIT ID: HIT212714305
Cas No: 170499-15-7
分子式: C28H22FN5O2
分子量: 479.515
常用名: ABT-491 free base
氢键受体数 (HBA): 4
氢键供体数 (HBD): 0
LogP: 3.3983135
IUPAC: 4-ethynyl-3-[3-fluoro-4-({2-methyl-1H-imidazo[4,5-c]pyridin-1-yl}methyl)benzoyl]-N,N-dimethyl-1H-indole-1-carboxamide
IUPAC: 4-ethynyl-3-[3-fluoro-4-({2-methyl-1H-imidazo[4,5-c]pyridin-1-yl}methyl)benzoyl]-N,N-dimethyl-1H-indole-1-carboxamide
SMILES: CN(C)C(=O)n1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc34)c(F)c2)c2c(cccc12)C#C
SMILES: CN(C)C(=O)n1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc34)c(F)c2)c2c(cccc12)C#C
InChI key: GDLNHSUSOZEAOR-UHFFFAOYSA-N
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