Anticancer agent 84
HIT218850620
sdf文件结构编辑类似物检索
HIT ID: HIT218850620
Cas No: 2714510-72-0
分子式: C57H67N7O9
分子量: 994.203
常用名: Anticancer agent 84
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3aS,5S,6R,7R,7aS)-2-[2-(2-{4-[2-(9-ethyl-9H-carbazol-3-yl)-4,5-bis[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazol-1-yl]phenoxy}ethoxy)ethoxy]-5-(hydroxymethyl)-2-methyl-hexahydro-[1,3]dioxolo[4,5-b]pyran-6,7-diol
IUPAC: (3aS,5S,6R,7R,7aS)-2-[2-(2-{4-[2-(9-ethyl-9H-carbazol-3-yl)-4,5-bis[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazol-1-yl]phenoxy}ethoxy)ethoxy]-5-(hydroxymethyl)-2-methyl-hexahydro-[1,3]dioxolo[4,5-b]pyran-6,7-diol
SMILES: [H][C@]12OC(C)(OCCOCCOc3ccc(cc3)-n3c(nc(c3-c3ccc(cc3)N3CCN(C)CC3)-c3ccc(cc3)N3CCN(C)CC3)-c3ccc4n(CC)c5ccccc5c4c3)O[C@@]1([H])[C@H](O)[C@@H](O)[C@H](CO)O2
SMILES: [H][C@]12OC(C)(OCCOCCOc3ccc(cc3)-n3c(nc(c3-c3ccc(cc3)N3CCN(C)CC3)-c3ccc(cc3)N3CCN(C)CC3)-c3ccc4n(CC)c5ccccc5c4c3)O[C@@]1([H])[C@H](O)[C@@H](O)[C@H](CO)O2
InChI key: JQFKPFVLERGHMD-BHDRTPEQSA-N
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