COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL035748
Chemical Name: 2-{(5E)-5-[4-(methoxycarbonyl)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanedioicacid
Smiles: COC(=O)c1ccc(cc1)/C=C\1/SC(=S)N(C1=O)C(C(=O)O)CC(=O)O

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Molecular Weight: 395.41
Empirical Formula: C16H13NO7S2

Physical State: Dry powder
Available Amount: 36 mg

Lipinsky:
logP: 2.011
Rotatable bonds: 7
H-donors: 2
H-acceptors: 7
PSA: 178
Number of rings: 2

     

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