COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK641946
Chemical Name: butyl{[4-(1,3-benzodioxol-5-yl)-3-cyano-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate
Smiles: CCCCOC(=O)CSC1=C(C#N)C(CC(=N1)O)c1ccc2c(c1)OCO2

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Molecular Weight: 388.44
Empirical Formula: C19H20N2O5S

Physical State: Dry powder
Available Amount: 138 mg

Lipinsky:
logP: 4.197
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 126
Number of rings: 3

     

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