COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK050297
Chemical Name: 3-[(5Z)-5-{4-[(2-cyanobenzyl)oxy]-3-ethoxybenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoicacid
Smiles: CCOc1cc(ccc1OCc1ccccc1C#N)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)C(=O)O

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Molecular Weight: 516.6
Empirical Formula: C27H20N2O5S2

Physical State: Dry powder
Available Amount: 397 mg

Lipinsky:
logP: 5.583
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 157
Number of rings: 4

     

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