Name: BTK-IN-5
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT214323111
Cas No:2145152-06-1
常用名:BTK-IN-5
IUPAC:(2S,3R)-3-(tert-butoxy)-N-[(1R)-2-(4-cyanophenyl)-1-(methylcarbamoyl)ethyl]-2-{[(2S)-2-methyloxiran-2-yl]formamido}butanamide
IUPAC:(2S,3R)-3-(tert-butoxy)-N-[(1R)-2-(4-cyanophenyl)-1-(methylcarbamoyl)ethyl]-2-{[(2S)-2-methyloxiran-2-yl]formamido}butanamide
InChI key:LRXNJCCPNMMAJW-SWDAYOAKSA-N

分子式:C23H32N4O5
分子量:444.532
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CNC(=O)[C@@H](Cc1ccc(cc1)C#N)NC(=O)[C@@H](NC(=O)[C@]1(C)CO1)[C@@H](C)OC(C)(C)C
SMILES:CNC(=O)[C@@H](Cc1ccc(cc1)C#N)NC(=O)[C@@H](NC(=O)[C@]1(C)CO1)[C@@H](C)OC(C)(C)C

BTK-IN-5 is a covalent inhibitor of Bruton's tyrosine kinase (BTK) designed for the treatment of medical conditions including cardiovascular diseases, respiratory diseases, inflammation, and diabetes.

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