Name: KRAS G12C inhibitor 28
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217587758
Cas No:2649004-88-4
常用名:KRAS G12C inhibitor 28
IUPAC:1-[4-(dimethylphosphoryl)-2-methyl-6-(propan-2-yl)phenyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-(prop-2-enoyl)piperazin-1-yl]-1H,2H-pyrido[2,3-d]pyrimidin-2-one
IUPAC:1-[4-(dimethylphosphoryl)-2-methyl-6-(propan-2-yl)phenyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-(prop-2-enoyl)piperazin-1-yl]-1H,2H-pyrido[2,3-d]pyrimidin-2-one
InChI key:AULVAQHFJPQQED-FQEVSTJZSA-N

分子式:C33H36F2N5O4P
分子量:635.653
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)c1cc(cc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F)P(C)(C)=O
SMILES:CC(C)c1cc(cc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F)P(C)(C)=O

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