COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040228
Chemical Name: methyl5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-hydroxy-4-(4-methylphenyl)-3,4-dihydropyridine-3-carboxylate
Smiles: CCOC(=O)CSC1=C(C#N)C(C(C(=N1)O)C(=O)OC)c1ccc(cc1)C

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Molecular Weight: 388.44
Empirical Formula: C19H20N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.326
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 134
Number of rings: 2

     

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