COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL358223
Chemical Name: (5E)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-3-(4-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Smiles: COc1cc(/C=C\2/SC(=O)N(C2=O)Cc2ccc(cc2)[N+](=O)[O-])cc(c1O)[N+](=O)[O-]

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Molecular Weight: 431.38
Empirical Formula: C18H13N3O8S

Physical State: Dry powder
Available Amount: 760 mg

Lipinsky:
logP: 3.891
Rotatable bonds: 4
H-donors: 1
H-acceptors: 8
PSA: 183
Number of rings: 3

     

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