COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL418746
Chemical Name: {4-[(E)-({(5Z)-5-[4-(carboxymethoxy)-3-methoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}imino)methyl]-2-methoxyphenoxy}aceticacid
Smiles: COc1cc(/C=N/N2C(=S)S/C(=C\c3ccc(c(c3)OC)OCC(=O)O)/C2=O)ccc1OCC(=O)O

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Molecular Weight: 532.55
Empirical Formula: C23H20N2O9S2

Physical State: Dry powder
Available Amount: 115 mg

Lipinsky:
logP: 3.153
Rotatable bonds: 13
H-donors: 2
H-acceptors: 9
PSA: 201
Number of rings: 3

     

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