Name: PROTAC IRAK4 ligand-1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212666609
Cas No:2357108-39-3
常用名:PROTAC IRAK4 ligand-1
IUPAC:4-{4-[2-(2-{[(tert-butoxy)carbonyl](cyclopropylmethyl)amino}pyridin-4-yl)-1,3-oxazole-4-amido]-3-(trifluoromethyl)-1H-pyrazol-1-yl}benzoic acid
IUPAC:4-{4-[2-(2-{[(tert-butoxy)carbonyl](cyclopropylmethyl)amino}pyridin-4-yl)-1,3-oxazole-4-amido]-3-(trifluoromethyl)-1H-pyrazol-1-yl}benzoic acid
InChI key:OGQQZVUJIJYUID-UHFFFAOYSA-N

分子式:C29H27F3N6O6
分子量:612.566
氢键供体数 (HBD):2
氢键受体数 (HBA):8
LogP:5.3571324
SMILES:CC(C)(C)OC(=O)N(CC1CC1)c1cc(ccn1)-c1nc(co1)C(=O)Nc1cn(nc1C(F)(F)F)-c1ccc(cc1)C(O)=O
SMILES:CC(C)(C)OC(=O)N(CC1CC1)c1cc(ccn1)-c1nc(co1)C(=O)Nc1cn(nc1C(F)(F)F)-c1ccc(cc1)C(O)=O

PROTAC IRAK4 ligand-1 is a synthetic ligand for interleukin-1 receptor-associated kinase 4.

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