COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL358190
Chemical Name: (5E)-5-(3-ethoxy-4-propoxybenzylidene)-3-(4-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Smiles: CCCOc1ccc(cc1OCC)/C=C\1/SC(=O)N(C1=O)Cc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 442.49
Empirical Formula: C22H22N2O6S

Physical State: Dry powder
Available Amount: 1109 mg

Lipinsky:
logP: 5.382
Rotatable bonds: 7
H-donors: 0
H-acceptors: 6
PSA: 126
Number of rings: 3

     

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