COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK845778
Chemical Name: benzyl{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate
Smiles: CCOc1cc(ccc1O)C1CC(=NC(=C1C#N)SCC(=O)OCc1ccccc1)O

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Molecular Weight: 438.5
Empirical Formula: C23H22N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.089
Rotatable bonds: 10
H-donors: 2
H-acceptors: 5
PSA: 137
Number of rings: 3

     

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