COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK860599
Chemical Name: 2-(benzylsulfanyl)-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: CCOc1cc(ccc1O)C1CC(=O)NC(=C1C#N)SCc1ccccc1

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Molecular Weight: 380.47
Empirical Formula: C21H20N2O3S

Physical State: Dry powder
Available Amount: 395 mg

Lipinsky:
logP: 3.889
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 107
Number of rings: 3

     

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