COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL427796
Chemical Name: (5E)-5-{3-methoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: C=CCN1C(=S)S/C(=C/c2ccc(c(c2)OC)OCc2ccccc2[N+](=O)[O-])/C1=O

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Molecular Weight: 442.52
Empirical Formula: C21H18N2O5S2

Physical State: Dry powder
Available Amount: 83 mg

Lipinsky:
logP: 3.947
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 141
Number of rings: 3

     

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