COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK076467
Chemical Name: (5Z)-5-{4-[(3-nitrobenzyl)oxy]benzylidene}-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione
Smiles: C#CCN1C(=O)S/C(=C\c2ccc(cc2)OCc2cccc(c2)[N+](=O)[O-])/C1=O

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Molecular Weight: 394.41
Empirical Formula: C20H14N2O5S

Physical State: Dry powder
Available Amount: 77 mg

Lipinsky:
logP: 4.207
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 117
Number of rings: 3

     

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