COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL357956
Chemical Name: (5E)-5-(4-hydroxy-3-nitrobenzylidene)-3-(2-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Smiles: O=C1S/C(=C/c2ccc(c(c2)[N+](=O)[O-])O)/C(=O)N1Cc1ccccc1[N+](=O)[O-]

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Molecular Weight: 401.36
Empirical Formula: C17H11N3O7S

Physical State: Dry powder
Available Amount: 850 mg

Lipinsky:
logP: 3.822
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 174
Number of rings: 3

     

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