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

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219200989
Cas No:3048601-02-8
常用名:Glucocorticoid receptor drug-linke 1
常用名:Glucocorticoid receptor drug-linke 1
IUPAC:{2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-{4-[(3-aminophenyl)methyl]phenyl}-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-8-yl]-2-oxoethoxy}phosphonic acid
IUPAC:{2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-{4-[(3-aminophenyl)methyl]phenyl}-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-8-yl]-2-oxoethoxy}phosphonic acid
InChI key:HIJXVAAACYBVOP-WWBNNTNKSA-N

分子式:C35H40NO9P
分子量:649.677
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)COP(O)(O)=O
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)COP(O)(O)=O

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