COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK538586
Chemical Name: methyl6-[(4-chlorobenzyl)sulfanyl]-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: CCOc1ccc(cc1)C1C(C(=O)OC)C(=O)NC(=C1C#N)SCc1ccc(cc1)Cl

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Molecular Weight: 456.95
Empirical Formula: C23H21ClN2O4S

Physical State: Dry powder
Available Amount: 430 mg

Lipinsky:
logP: 6.025
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 113
Number of rings: 3

     

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