EPZ004777
HIT212650711
sdf文件结构编辑类似物检索
HIT ID: HIT212650711
Cas No: 1338466-77-5
分子式: C28H41N7O4
分子量: 539.681
常用名: EPZ004777
氢键受体数 (HBA): 8
氢键供体数 (HBD): 5
LogP: 2.7382472
IUPAC: 3-[3-({[(2R,3S,4R,5R)-5-{4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-3,4-dihydroxyoxolan-2-yl]methyl}(propan-2-yl)amino)propyl]-1-(4-tert-butylphenyl)urea
IUPAC: 3-[3-({[(2R,3S,4R,5R)-5-{4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-3,4-dihydroxyoxolan-2-yl]methyl}(propan-2-yl)amino)propyl]-1-(4-tert-butylphenyl)urea
SMILES: CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12
SMILES: CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12
InChI key: WXRGFPHDRFQODR-ICLZECGLSA-N
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