ACT-387042
HIT212711981
sdf文件结构编辑类似物检索
HIT ID: HIT212711981
Cas No: 1229514-11-7
分子式: C23H26FN5O4S
分子量: 487.55
常用名: ACT-387042
氢键受体数 (HBA): 9
氢键供体数 (HBD): 2
LogP: 1.8158934
IUPAC: (1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[(2S,5R)-5-[({6H,7H-[1,4]oxathiino[2,3-c]pyridazin-3-yl}methyl)amino]oxan-2-yl]ethan-1-ol
IUPAC: (1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[(2S,5R)-5-[({6H,7H-[1,4]oxathiino[2,3-c]pyridazin-3-yl}methyl)amino]oxan-2-yl]ethan-1-ol
SMILES: COc1ccc2ncc(F)c(C[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4SCCOc4nn3)c2n1
SMILES: COc1ccc2ncc(F)c(C[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4SCCOc4nn3)c2n1
InChI key: JYSPYEGADQXZPH-VMDGZTHMSA-N
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