COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL415997
Chemical Name: methyl5-cyano-6-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C)C#N)SCc1ccc(c(c1)Cl)Cl

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Molecular Weight: 461.37
Empirical Formula: C22H18Cl2N2O3S

Physical State: Dry powder
Available Amount: 116 mg

Lipinsky:
logP: 6.508
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 104
Number of rings: 3

     

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