Name: KRAS G12C inhibitor 15
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212672940
Cas No:2349393-21-9
常用名:KRAS G12C inhibitor 15
IUPAC:(4R,7R)-16-chloro-14-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4,9-dimethyl-5-(prop-2-enoyl)-2,5,9,12-tetraazatetracyclo[8.8.0.0^{2,7}.0^{13,18}]octadeca-1(18),10,12,14,16-pentaen-8-one
IUPAC:(4R,7R)-16-chloro-14-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4,9-dimethyl-5-(prop-2-enoyl)-2,5,9,12-tetraazatetracyclo[8.8.0.0^{2,7}.0^{13,18}]octadeca-1(18),10,12,14,16-pentaen-8-one
InChI key:XDVMVEOFPVCHEL-SJKOYZFVSA-N

分子式:C25H21ClF2N4O3
分子量:498.91
氢键供体数 (HBD):1
氢键受体数 (HBA):5
LogP:3.7339966
SMILES:C[C@@H]1CN2[C@H](CN1C(=O)C=C)C(=O)N(C)c1cnc3c(F)c(c(Cl)cc3c21)-c1c(O)cccc1F
SMILES:C[C@@H]1CN2[C@H](CN1C(=O)C=C)C(=O)N(C)c1cnc3c(F)c(c(Cl)cc3c21)-c1c(O)cccc1F

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