COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK826192
Chemical Name: ethyl6-(butylsulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: CCCCSC1=C(C#N)C(C(C(=O)N1)C(=O)OCC)c1ccccc1OCC

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Molecular Weight: 402.51
Empirical Formula: C21H26N2O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.63
Rotatable bonds: 10
H-donors: 1
H-acceptors: 4
PSA: 113
Number of rings: 2

     

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