COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK838436
Chemical Name: benzyl{[3,5-dicyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Smiles: CCOc1ccccc1C1C(=C(SCC(=O)OCc2ccccc2)NC(=O)C1C#N)C#N

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Molecular Weight: 447.51
Empirical Formula: C24H21N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.296
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 137
Number of rings: 3

     

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