Name: NR1H4 activator 1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214314664
Cas No:2242855-68-9
常用名:NR1H4 activator 1
IUPAC:(2S)-2-[(1R,3aS,3bS,4R,5R,5aS,7R,9aS,9bS,11aR)-5-ethyl-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]propyl N-[4-(propan-2-yloxy)benzenesulfonyl]carbamate
IUPAC:(2S)-2-[(1R,3aS,3bS,4R,5R,5aS,7R,9aS,9bS,11aR)-5-ethyl-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]propyl N-[4-(propan-2-yloxy)benzenesulfonyl]carbamate
InChI key:JLMRPDFFAJUPGE-YVBUYISXSA-N

分子式:C34H53NO7S
分子量:619.86
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)COC(=O)NS(=O)(=O)c1ccc(OC(C)C)cc1
SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)COC(=O)NS(=O)(=O)c1ccc(OC(C)C)cc1

NR1H4 activator 1 is a potent and selective agonist of Famesoid X Receptor (FXR).

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