COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL358177
Chemical Name: (5E)-5-[4-(2,4-dinitrophenoxy)benzylidene]-3-(4-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Smiles: O=C1S/C(=C/c2ccc(cc2)Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])/C(=O)N1Cc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 522.45
Empirical Formula: C23H14N4O9S

Physical State: Dry powder
Available Amount: 1471 mg

Lipinsky:
logP: 5.013
Rotatable bonds: 2
H-donors: 0
H-acceptors: 9
PSA: 209
Number of rings: 4

     

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