COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK378466
Chemical Name: (5E)-5-[5-methoxy-4-(3-methylbutoxy)-2-nitrobenzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1cc(/C=C\2/SC(=S)NC2=O)c(cc1OCCC(C)C)[N+](=O)[O-]

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Molecular Weight: 382.46
Empirical Formula: C16H18N2O5S2

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 3.535
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 150
Number of rings: 2

     

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