COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043974
Chemical Name: methyl5-cyano-6-[(4-ethoxy-2,4-dioxobutyl)sulfanyl]-2-hydroxy-4-(4-methylphenyl)-3,4-dihydropyridine-3-carboxylate
Smiles: CCOC(=O)CC(=O)CSC1=C(C#N)C(C(C(=N1)O)C(=O)OC)c1ccc(cc1)C

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Molecular Weight: 430.48
Empirical Formula: C21H22N2O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.866
Rotatable bonds: 10
H-donors: 1
H-acceptors: 6
PSA: 151
Number of rings: 2

     

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