A3AR agonist 3
HIT218847298
sdf文件结构编辑类似物检索
HIT ID: HIT218847298
Cas No: 3032474-53-3
分子式: C15H15ClN4O2
分子量: 318.76
常用名: A3AR agonist 3
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,2R,3S,4R,5S)-4-{8-chloro-11-methyl-3,5,7,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-5-yl}bicyclo[3.1.0]hexane-2,3-diol
IUPAC: (1R,2R,3S,4R,5S)-4-{8-chloro-11-methyl-3,5,7,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-5-yl}bicyclo[3.1.0]hexane-2,3-diol
SMILES: [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c1nc(Cl)c1cc(C)[nH]c21
SMILES: [H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c1nc(Cl)c1cc(C)[nH]c21
InChI key: VIOXURWAHGNKCW-ZCIHTCQPSA-N
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