Name: TMP778
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212673433
Cas No:1422053-04-0
常用名:TMP778
IUPAC:2-{2-[(S)-(3,5-dimethyl-1,2-oxazol-4-yl)(hydroxy)methyl]-1-benzofuran-5-yl}-N-[(S)-(2,4-dimethylphenyl)(phenyl)methyl]acetamide
IUPAC:2-{2-[(S)-(3,5-dimethyl-1,2-oxazol-4-yl)(hydroxy)methyl]-1-benzofuran-5-yl}-N-[(S)-(2,4-dimethylphenyl)(phenyl)methyl]acetamide
InChI key:DIURRJOJDQOMFC-IOWSJCHKSA-N

分子式:C31H30N2O4
分子量:494.591
氢键供体数 (HBD):2
氢键受体数 (HBA):3
LogP:5.3547754
SMILES:Cc1noc(C)c1[C@H](O)c1cc2cc(CC(=O)N[C@@H](c3ccccc3)c3ccc(C)cc3C)ccc2o1
SMILES:Cc1noc(C)c1[C@H](O)c1cc2cc(CC(=O)N[C@@H](c3ccccc3)c3ccc(C)cc3C)ccc2o1

TMP778 is an effective and selective RORγt inverse agonist (IC50: 7 nM in FRET assay).

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