COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL419358
Chemical Name: 2,6-dimethoxy-4-{(E)-[3-(4-nitrophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenylacetate
Smiles: COc1cc(/C=C\2/SC(=S)N(C2=O)c2ccc(cc2)[N+](=O)[O-])cc(c1OC(=O)C)OC

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Molecular Weight: 460.49
Empirical Formula: C20H16N2O7S2

Physical State: Dry powder
Available Amount: 128 mg

Lipinsky:
logP: 3.273
Rotatable bonds: 3
H-donors: 0
H-acceptors: 7
PSA: 168
Number of rings: 3

     

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