COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK064375
Chemical Name: [(5E)-5-{4-[(4-nitrobenzyl)oxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]aceticacid
Smiles: OC(=O)CN1C(=S)S/C(=C/c2ccc(cc2)OCc2ccc(cc2)[N+](=O)[O-])/C1=O

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Molecular Weight: 430.46
Empirical Formula: C19H14N2O6S2

Physical State: Dry powder
Available Amount: 114 mg

Lipinsky:
logP: 3.006
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 170
Number of rings: 3

     

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