COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK392721
Chemical Name: {(5E)-5-[4-(2,4-dinitrophenoxy)-3-ethoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}aceticacid
Smiles: CCOc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C=C\1/SC(=S)N(C1=O)CC(=O)O

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Molecular Weight: 505.49
Empirical Formula: C20H15N3O9S2

Physical State: Dry powder
Available Amount: 208 mg

Lipinsky:
logP: 2.029
Rotatable bonds: 8
H-donors: 1
H-acceptors: 9
PSA: 225
Number of rings: 3

     

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