5-HT3-In-1
HIT212666823
sdf文件结构编辑类似物检索
HIT ID: HIT212666823
Cas No: 186348-68-5
分子式: C16H21ClN4O3
分子量: 352.82
常用名: 5-HT3-In-1
氢键受体数 (HBA): 6
氢键供体数 (HBD): 2
LogP: 0.089819655
IUPAC: 8-amino-7-chloro-N-{[(2S)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxamide
IUPAC: 8-amino-7-chloro-N-{[(2S)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILES: Nc1c(Cl)cc(C(=O)NC[C@H]2CN3CCN2CC3)c2OCCOc12
SMILES: Nc1c(Cl)cc(C(=O)NC[C@H]2CN3CCN2CC3)c2OCCOc12
InChI key: AUEDWHIROZUNGK-JTQLQIEISA-N
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