COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL428126
Chemical Name: [(5E)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]aceticacid
Smiles: COc1cc(/C=C\2/SC(=S)N(C2=O)CC(=O)O)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 370.36
Empirical Formula: C13H10N2O7S2

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 1.605
Rotatable bonds: 6
H-donors: 2
H-acceptors: 7
PSA: 190
Number of rings: 2

     

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