COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK699413
Chemical Name: methyl6-(benzylsulfanyl)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)Cl)C#N)SCc1ccccc1

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Molecular Weight: 412.9
Empirical Formula: C21H17ClN2O3S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 5.578
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 104
Number of rings: 3

     

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