1-Deaza-fad
HIT212714037
sdf文件结构编辑类似物检索
HIT ID: HIT212714037
Cas No: 57818-88-9
分子式: C28H34N8O15P2
分子量: 784.569
常用名: 1-Deaza-fad
氢键受体数 (HBA): 18
氢键供体数 (HBD): 9
LogP: -5.5233684
IUPAC: {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-pyrimido[4,5-b]quinolin-10-yl}-2,3,4-trihydroxypentyl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid
IUPAC: {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-pyrimido[4,5-b]quinolin-10-yl}-2,3,4-trihydroxypentyl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid
SMILES: Cc1cc2cc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)c2cc1C |@@:23,27|
SMILES: Cc1cc2cc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)c2cc1C |@@:23,27|
InChI key: GLDULYQMIPGSPD-AUSFFQRRSA-N
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