COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK676077
Chemical Name: {(5E)-5-[4-(acetyloxy)-3,5-dimethoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}aceticacid
Smiles: COc1cc(/C=C\2/SC(=S)N(C2=O)CC(=O)O)cc(c1OC(=O)C)OC

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Saltdata: AcOH(2:1)
Molecular Weight: 397.43
Empirical Formula: C16H15NO7S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.762
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 159
Number of rings: 2

     

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