Name: KRAS G12C inhibitor 18
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214323658
Cas No:2649788-45-2
常用名:KRAS G12C inhibitor 18
IUPAC:2-amino-4-[(12S)-7-chloro-5-fluoro-2-oxo-14-(prop-2-enoyl)-9-oxa-1,14-diazatricyclo[10.4.0.0^{3,8}]hexadeca-3(8),4,6-trien-6-yl]-1-benzothiophene-3-carbonitrile
IUPAC:2-amino-4-[(12S)-7-chloro-5-fluoro-2-oxo-14-(prop-2-enoyl)-9-oxa-1,14-diazatricyclo[10.4.0.0^{3,8}]hexadeca-3(8),4,6-trien-6-yl]-1-benzothiophene-3-carbonitrile
InChI key:FLOCSULDJZSEOQ-ZDUSSCGKSA-N

分子式:C25H20ClFN4O3S
分子量:510.97
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CN(CCN1C(=O)c1cc(F)c(c(Cl)c1OCC2)-c1cccc2sc(N)c(C#N)c12)C(=O)C=C
SMILES:[H][C@]12CN(CCN1C(=O)c1cc(F)c(c(Cl)c1OCC2)-c1cccc2sc(N)c(C#N)c12)C(=O)C=C

KRAS G12C inhibitor 18 is a potent, orally active compound that inhibits KRAS G12C and exhibits anti-tumor activities.

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