COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044888
Chemical Name: methyl5-cyano-2-hydroxy-4-(2-methylphenyl)-6-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-3,4-dihydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=NC(=C(C1c1ccccc1C)C#N)SCC(=O)Nc1nccs1)O

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Molecular Weight: 442.52
Empirical Formula: C20H18N4O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.378
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 178
Number of rings: 3

     

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