KB-5492 anhydrous
HIT212710549
sdf文件结构编辑类似物检索
HIT ID: HIT212710549
Cas No: 129200-10-8
分子式: C27H34N2O10
分子量: 546.573
常用名: KB-5492 anhydrous
氢键受体数 (HBA): 7
氢键供体数 (HBD): 0
LogP: 2.4129128
IUPAC: (2E)-but-2-enedioic acid; 4-methoxyphenyl 2-{4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl}acetate
IUPAC: (2E)-but-2-enedioic acid; 4-methoxyphenyl 2-{4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl}acetate
SMILES: OC(=O)\C=C\C(O)=O.COc1ccc(OC(=O)CN2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1
SMILES: OC(=O)\C=C\C(O)=O.COc1ccc(OC(=O)CN2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1
InChI key: JUOYRBCKLAPYBI-WLHGVMLRSA-N
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