COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047249
Chemical Name: benzyl{[3-cyano-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-4,5-dihydropyridin-2-yl]sulfanyl}acetate
Smiles: N#CC1=C(SCC(=O)OCc2ccccc2)N=C(CC1c1ccc(c(c1)OC)O)O

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Molecular Weight: 424.48
Empirical Formula: C22H20N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.558
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 137
Number of rings: 3

     

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