COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK152497
Chemical Name: (5E)-5-{3-chloro-5-methoxy-4-[(3-nitrobenzyl)oxy]benzylidene}-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione
Smiles: C#CCN1C(=O)S/C(=C/c2cc(Cl)c(c(c2)OC)OCc2cccc(c2)[N+](=O)[O-])/C1=O

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Molecular Weight: 458.88
Empirical Formula: C21H15ClN2O6S

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 4.876
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 126
Number of rings: 3

     

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