PU24FCl
HIT212713401
sdf文件结构编辑类似物检索
HIT ID: HIT212713401
Cas No: 422508-46-1
分子式: C20H21ClFN5O3
分子量: 433.87
常用名: PU24FCl
氢键受体数 (HBA): 7
氢键供体数 (HBD): 1
LogP: 3.3633728
IUPAC: 8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-2-fluoro-9-(pent-4-yn-1-yl)-9H-purin-6-amine
IUPAC: 8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-2-fluoro-9-(pent-4-yn-1-yl)-9H-purin-6-amine
SMILES: COc1cc(Cc2nc3c(N)nc(F)nc3n2CCCC#C)c(Cl)c(OC)c1OC
SMILES: COc1cc(Cc2nc3c(N)nc(F)nc3n2CCCC#C)c(Cl)c(OC)c1OC
InChI key: KCIOVTSUEXGUFJ-UHFFFAOYSA-N
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