COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL073148
Chemical Name: 4-{1-[2-(4-chlorophenyl)ethyl]-2,6-dimethylpyridin-4(1H)-ylidene}-3-ethyl-2-thioxo-1,3-thiazolidin-5-one
Smiles: CCN1C(=S)SC(=O)/C/1=c/1\cc(C)n(c(c1)C)CCc1ccc(cc1)Cl

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Molecular Weight: 404.98
Empirical Formula: C20H21ClN2OS2

Physical State: Dry powder
Available Amount: 96 mg

Lipinsky:
logP: 3.597
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 80
Number of rings: 3

     

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