COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL418639
Chemical Name: 2-[(5E)-5-(3-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-1H-isoindole-1,3(2H)-dione
Smiles: S=C1S/C(=C/c2cccc(c2)[N+](=O)[O-])/C(=O)N1N1C(=O)c2c(C1=O)cccc2

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Molecular Weight: 411.42
Empirical Formula: C18H9N3O5S2

Physical State: Dry powder
Available Amount: 88 mg

Lipinsky:
logP: 3.321
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 160
Number of rings: 4

     

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