Name: BAY8040
Rating: 5 (10 reviews)

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HIT ID:HIT212714975
Cas No:1194453-23-0
常用名:BAY8040
别名:BAY-8040, BAY 8040
IUPAC:4-[(4R)-7-methyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H,8H-pyrimido[4,5-d]pyridazin-4-yl]benzonitrile
IUPAC:4-[(4R)-7-methyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,5H,6H,7H,8H-pyrimido[4,5-d]pyridazin-4-yl]benzonitrile
InChI key:UPNMBPLODWPJQQ-GOSISDBHSA-N

分子式:C21H16F3N5O2
分子量:427.387
氢键供体数 (HBD):2
氢键受体数 (HBA):4
LogP:1.6538651
SMILES:CN1CC2=C([C@H](NC(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2)C#N)C(=O)N1 |t:3|
SMILES:CN1CC2=C([C@H](NC(=O)N2c2cccc(c2)C(F)(F)F)c2ccc(cc2)C#N)C(=O)N1 |t:3|

BAY8040 is a potent selective human neutrophilic elastase inhibitor with excellent potency and selectivity with promising pharmacokinetic characteristics.

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