COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK021535
Chemical Name: (5E)-5-[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)benzylidene]-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Smiles: CCOc1cc(/C=C\2/SC(=O)N(C2=O)Cc2cccc(c2)[N+](=O)[O-])cc(c1O)CC=C

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Molecular Weight: 440.48
Empirical Formula: C22H20N2O6S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 4.739
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 137
Number of rings: 3

     

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