Name: Antiviral agent 19
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214432747
Cas No:1807887-16-6
常用名:Antiviral agent 19
IUPAC:(3E,4R)-3-{2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]ethylidene}-4-(quinolin-8-yloxy)oxolan-2-one
IUPAC:(3E,4R)-3-{2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]ethylidene}-4-(quinolin-8-yloxy)oxolan-2-one
InChI key:YBVRDYYPMSHRIF-JFKJDLBZSA-N

分子式:C29H35NO5
分子量:477.601
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CCC(=C)[C@@H](C\C=C3/[C@H](COC3=O)Oc3cccc4cccnc34)[C@]1(C)CC[C@@H](O)[C@@]2(C)CO
SMILES:[H][C@]12CCC(=C)[C@@H](C\C=C3/[C@H](COC3=O)Oc3cccc4cccnc34)[C@]1(C)CC[C@@H](O)[C@@]2(C)CO

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