KRas G12C inhibitor 2
HIT212672948
sdf文件结构编辑类似物检索
HIT ID: HIT212672948
Cas No: 2206735-61-5
分子式: C32H37N7O3
分子量: 567.694
常用名: KRas G12C inhibitor 2
氢键受体数 (HBA): 9
氢键供体数 (HBD): 1
LogP: 3.8421683
IUPAC: 2-[(2S)-4-[7-(3-hydroxynaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl]-1-(prop-2-enoyl)piperazin-2-yl]acetonitrile
IUPAC: 2-[(2S)-4-[7-(3-hydroxynaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl]-1-(prop-2-enoyl)piperazin-2-yl]acetonitrile
SMILES: CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C=C)c1cc(O)cc2ccccc12
SMILES: CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C=C)c1cc(O)cc2ccccc12
InChI key: YKGVCHZNLOIACZ-ZEQRLZLVSA-N
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