BAY1217389
HIT212657766
sdf文件结构编辑类似物检索
HIT ID: HIT212657766
Cas No: 1554458-53-5
分子式: C27H24F5N5O3
分子量: 561.513
常用名: BAY1217389
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 4.970018
IUPAC: N-cyclopropyl-4-[6-(2,3-difluoro-4-methoxyphenoxy)-8-[(3,3,3-trifluoropropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
IUPAC: N-cyclopropyl-4-[6-(2,3-difluoro-4-methoxyphenoxy)-8-[(3,3,3-trifluoropropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
SMILES: COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
SMILES: COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
InChI key: WNEILUNVMHVMPH-UHFFFAOYSA-N
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