Name: BI-1950
Rating: 5 (10 reviews)

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HIT ID:HIT212669463
Cas No:1159724-42-1
常用名:BI-1950
IUPAC:(2S)-2-{[(3R)-3-[(4-cyanophenyl)methyl]-1-(3,5-dichloro-4-fluorophenyl)-3-methyl-2-oxo-1H,2H,3H-imidazo[1,2-a][1,3]diazol-5-yl]formamido}-N-[1-(pyridin-2-yl)cyclopropyl]propanamide
IUPAC:(2S)-2-{[(3R)-3-[(4-cyanophenyl)methyl]-1-(3,5-dichloro-4-fluorophenyl)-3-methyl-2-oxo-1H,2H,3H-imidazo[1,2-a][1,3]diazol-5-yl]formamido}-N-[1-(pyridin-2-yl)cyclopropyl]propanamide
InChI key:JZTTUZXIQIRVAB-FZEVHQGJSA-N

分子式:C32H26Cl2FN7O3
分子量:646.5
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:4.8282924
SMILES:C[C@H](NC(=O)c1cnc2N(C(=O)[C@@](C)(Cc3ccc(cc3)C#N)n12)c1cc(Cl)c(F)c(Cl)c1)C(=O)NC1(CC1)c1ccccn1
SMILES:C[C@H](NC(=O)c1cnc2N(C(=O)[C@@](C)(Cc3ccc(cc3)C#N)n12)c1cc(Cl)c(F)c(Cl)c1)C(=O)NC1(CC1)c1ccccn1

BI-1950 is a highly potent lymphocyte function associated antigen-1 (LFA-1) inhibitor and the LFA-1 is an essential component in normal immune system function and a target for drug discovery[1].

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