CMLD010509
HIT212672058
sdf文件结构编辑类似物检索
HIT ID: HIT212672058
Cas No: 256497-58-2
分子式: C27H26BrNO7
分子量: 556.409
常用名: CMLD010509
氢键受体数 (HBA): 7
氢键供体数 (HBD): 3
LogP: 3.2423823
IUPAC: (2S,3R,4R,5S,6R)-6-(4-bromophenyl)-2,3-dihydroxy-N,10,12-trimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0^{2,6}]dodeca-1(12),8,10-triene-4-carboxamide
IUPAC: (2S,3R,4R,5S,6R)-6-(4-bromophenyl)-2,3-dihydroxy-N,10,12-trimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0^{2,6}]dodeca-1(12),8,10-triene-4-carboxamide
SMILES: CONC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(O[C@]2([C@@H]1c1ccccc1)c1ccc(Br)cc1)cc(OC)cc3OC
SMILES: CONC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(O[C@]2([C@@H]1c1ccccc1)c1ccc(Br)cc1)cc(OC)cc3OC
InChI key: VVCMGKRXILWBQB-PXIJUOARSA-N
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