COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK725777
Chemical Name: benzyl{[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Smiles: CCOc1ccc(cc1)C1CC(=O)NC(=C1C#N)SCC(=O)OCc1ccccc1

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Molecular Weight: 422.5
Empirical Formula: C23H22N2O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.327
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 113
Number of rings: 3

     

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