COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL419326
Chemical Name: (5E)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCOc1cc(/C=C\2/SC(=S)N(C2=O)c2ccc(cc2)[N+](=O)[O-])cc(c1O)[N+](=O)[O-]

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Molecular Weight: 447.45
Empirical Formula: C18H13N3O7S2

Physical State: Dry powder
Available Amount: 115 mg

Lipinsky:
logP: 4.648
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 198
Number of rings: 3

     

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