Mirisetron Maleate
HIT214319922
sdf文件结构编辑类似物检索
HIT ID: HIT214319922
Cas No: 148611-75-0
分子式: C28H35N3O6
分子量: 509.603
常用名: Mirisetron Maleate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2Z)-but-2-enedioic acid; 1-cyclohexyl-N-[(1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
IUPAC: (2Z)-but-2-enedioic acid; 1-cyclohexyl-N-[(1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
SMILES: OC(=O)\C=C/C(O)=O.[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cn(C3CCCCC3)c3ccccc3c1=O)N2C |TLB:17:15:37:10.11|
SMILES: OC(=O)\C=C/C(O)=O.[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cn(C3CCCCC3)c3ccccc3c1=O)N2C |TLB:17:15:37:10.11|
InChI key: OQIHDZMOAKTHKW-HNJJWOJJSA-N
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