Name: Carotegrast
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212708368
Cas No:401904-75-4
常用名:Carotegrast
IUPAC:(2S)-2-[(2,6-dichlorophenyl)formamido]-3-{4-[6-(dimethylamino)-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]phenyl}propanoic acid
IUPAC:(2S)-2-[(2,6-dichlorophenyl)formamido]-3-{4-[6-(dimethylamino)-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]phenyl}propanoic acid
InChI key:YQKBOUPIOWUMTE-NRFANRHFSA-N

分子式:C27H24Cl2N4O5
分子量:555.41
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:3.9935634
SMILES:CN(C)c1ccc2n(C)c(=O)n(-c3ccc(C[C@H](NC(=O)c4c(Cl)cccc4Cl)C(O)=O)cc3)c(=O)c2c1
SMILES:CN(C)c1ccc2n(C)c(=O)n(-c3ccc(C[C@H](NC(=O)c4c(Cl)cccc4Cl)C(O)=O)cc3)c(=O)c2c1

Carotegrast, an orally available α4 integrin receptor inhibitor, has anti-inflammatories activities.

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