2-carbamoyl-4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]pyridin-1-ium-1-olate, N-desmethyl Regorafenib N-oxide
HIT218832988
sdf文件结构编辑类似物检索
HIT ID: HIT218832988
Cas No:
分子式: C20H13ClF4N4O4
分子量: 484.79
常用名: 2-carbamoyl-4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]pyridin-1-ium-1-olate, N-desmethyl Regorafenib N-oxide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-carbamoyl-4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]pyridin-1-ium-1-olate
SMILES: NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)cc[n+]1[O-]
InChI key: JPEWXTSDCNCZOD-UHFFFAOYSA-N
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