COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK645751
Chemical Name: benzyl{[3-cyano-6-hydroxy-4-(4-methoxyphenyl)-4,5-dihydropyridin-2-yl]sulfanyl}acetate
Smiles: COc1ccc(cc1)C1CC(=NC(=C1C#N)SCC(=O)OCc1ccccc1)O

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Molecular Weight: 408.48
Empirical Formula: C22H20N2O4S

Physical State: Dry powder
Available Amount: 72 mg

Lipinsky:
logP: 4.505
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 117
Number of rings: 3

     

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