COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL418528
Chemical Name: (5E)-5-(4-hydroxy-3-nitrobenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C/c2ccc(c(c2)[N+](=O)[O-])O)/C(=O)N1c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 403.4
Empirical Formula: C16H9N3O6S2

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 4.048
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 189
Number of rings: 3

     

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