COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK838742
Chemical Name: butyl{[3,5-dicyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Smiles: CCCCOC(=O)CSC1=C(C#N)C(C(C(=O)N1)C#N)c1ccccc1OC

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Molecular Weight: 399.47
Empirical Formula: C20H21N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.511
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 137
Number of rings: 2

     

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