COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK952147
Chemical Name: (2E)-5-(2-nitrobenzyl)-2-[(2E)-(3-nitrobenzylidene)hydrazinylidene]-3-(prop-2-en-1-yl)-1,3-thiazolidin-4-one
Smiles: C=CCN1/C(=N\N=C\c2cccc(c2)[N+](=O)[O-])/SC(C1=O)Cc1ccccc1[N+](=O)[O-]

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Molecular Weight: 439.45
Empirical Formula: C20H17N5O5S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 4.596
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 161
Number of rings: 3

     

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