COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK725843
Chemical Name: benzyl{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Smiles: CCOc1cc(ccc1O)C1CC(=O)NC(=C1C#N)SCC(=O)OCc1ccccc1

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Molecular Weight: 438.5
Empirical Formula: C23H22N2O5S

Physical State: Dry powder
Available Amount: 146 mg

Lipinsky:
logP: 4.38
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 133
Number of rings: 3

     

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