TAK-778
HIT212670577
sdf文件结构编辑类似物检索
HIT ID: HIT212670577
Cas No: 180185-61-9
分子式: C24H28NO7PS
分子量: 505.52
常用名: TAK-778
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 3.451171
IUPAC: diethyl ({4-[(11R,13S)-13-methyl-14-oxo-4,6-dioxa-12-thiatricyclo[7.5.0.0^{3,7}]tetradeca-1(9),2,7-triene-11-amido]phenyl}methyl)phosphonate
IUPAC: diethyl ({4-[(11R,13S)-13-methyl-14-oxo-4,6-dioxa-12-thiatricyclo[7.5.0.0^{3,7}]tetradeca-1(9),2,7-triene-11-amido]phenyl}methyl)phosphonate
SMILES: CCOP(=O)(Cc1ccc(NC(=O)[C@H]2Cc3cc4OCOc4cc3C(=O)[C@H](C)S2)cc1)OCC
SMILES: CCOP(=O)(Cc1ccc(NC(=O)[C@H]2Cc3cc4OCOc4cc3C(=O)[C@H](C)S2)cc1)OCC
InChI key: WXACSCNLLDFZHE-OYHNWAKOSA-N
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