KRAS G12C inhibitor 16
HIT212672941
sdf文件结构编辑类似物检索
HIT ID: HIT212672941
Cas No: 2349392-79-4
分子式: C24H21ClFN3O3
分子量: 453.9
常用名: KRAS G12C inhibitor 16
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 4.285057
IUPAC: 1-[(7R)-16-chloro-15-(2-fluoro-6-hydroxyphenyl)-14-methyl-9-oxa-2,5,12-triazatetracyclo[8.8.0.0^{2,7}.0^{13,18}]octadeca-1(18),10,12,14,16-pentaen-5-yl]prop-2-en-1-one
IUPAC: 1-[(7R)-16-chloro-15-(2-fluoro-6-hydroxyphenyl)-14-methyl-9-oxa-2,5,12-triazatetracyclo[8.8.0.0^{2,7}.0^{13,18}]octadeca-1(18),10,12,14,16-pentaen-5-yl]prop-2-en-1-one
SMILES: Cc1c(c(Cl)cc2c3N4CCN(C[C@@H]4COc3cnc12)C(=O)C=C)-c1c(O)cccc1F
SMILES: Cc1c(c(Cl)cc2c3N4CCN(C[C@@H]4COc3cnc12)C(=O)C=C)-c1c(O)cccc1F
InChI key: BATBWOGNVDIMCI-CQSZACIVSA-N
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