COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK023820
Chemical Name: [(5E)-5-{3-ethoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]aceticacid
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])/C=C\1/SC(=S)N(C1=O)CC(=O)O

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Molecular Weight: 474.52
Empirical Formula: C21H18N2O7S2

Physical State: Dry powder
Available Amount: 95 mg

Lipinsky:
logP: 3.419
Rotatable bonds: 8
H-donors: 1
H-acceptors: 7
PSA: 179
Number of rings: 3

     

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