Name: Glucocorticoid receptor agonist-1
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214321917
Cas No:2166375-82-0
常用名:Glucocorticoid receptor agonist-1
常用名:Glucocorticoid receptor agonist-1
IUPAC:(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-{4-[(3-aminophenyl)methyl]phenyl}-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one
IUPAC:(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-{4-[(3-aminophenyl)methyl]phenyl}-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one
InChI key:MPEPSOPXQDGEHP-WWBNNTNKSA-N

分子式:C35H39NO6
分子量:569.698
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(O[C@@H](O2)c1ccc(Cc2cccc(N)c2)cc1)C(=O)CO |c:13,t:9|
SMILES:[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(O[C@@H](O2)c1ccc(Cc2cccc(N)c2)cc1)C(=O)CO |c:13,t:9|

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