COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK842242
Chemical Name: 2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Smiles: CCOc1cc(ccc1O)C1CC(=O)NC(=C1C#N)SCC(=O)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 468.49
Empirical Formula: C22H20N4O6S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 4.015
Rotatable bonds: 7
H-donors: 3
H-acceptors: 6
PSA: 182
Number of rings: 3

     

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