Name: Setileuton tosylate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218852230
Cas No:1137737-87-1
常用名:Setileuton tosylate
IUPAC:4-(4-fluorophenyl)-7-[({5-[(2S)-1,1,1-trifluoro-2-hydroxybutan-2-yl]-1,3,4-oxadiazol-2-yl}amino)methyl]-2H-chromen-2-one; 4-methylbenzene-1-sulfonic acid
IUPAC:4-(4-fluorophenyl)-7-[({5-[(2S)-1,1,1-trifluoro-2-hydroxybutan-2-yl]-1,3,4-oxadiazol-2-yl}amino)methyl]-2H-chromen-2-one; 4-methylbenzene-1-sulfonic acid
InChI key:NDAZWYKPMVDGGE-BOXHHOBZSA-N

分子式:C29H25F4N3O7S
分子量:635.59
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1ccc(cc1)S(O)(=O)=O.CC[C@](O)(c1nnc(NCc2ccc3c(cc(=O)oc3c2)-c2ccc(F)cc2)o1)C(F)(F)F
SMILES:Cc1ccc(cc1)S(O)(=O)=O.CC[C@](O)(c1nnc(NCc2ccc3c(cc(=O)oc3c2)-c2ccc(F)cc2)o1)C(F)(F)F

Setileuton, also known as MK0633, is a potent and selective 5-lipoxygenase inhibitor which is under investigation for the treatment of asthma and atherosclerosis.

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