COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK057204
Chemical Name: 3-[(5Z)-5-{2-[2-(4-methoxyphenoxy)ethoxy]-5-nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoicacid
Smiles: COc1ccc(cc1)OCCOc1ccc(cc1/C=C/1\SC(=S)N(C1=O)c1cccc(c1)C(=O)O)[N+](=O)[O-]

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Molecular Weight: 552.59
Empirical Formula: C26H20N2O8S2

Physical State: Dry powder
Available Amount: 181 mg

Lipinsky:
logP: 5.847
Rotatable bonds: 7
H-donors: 1
H-acceptors: 8
PSA: 188
Number of rings: 4

     

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