COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK620703
Chemical Name: 2-{(5E)-5-[(8-ethoxyquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanedioicacid
Smiles: CCOc1cccc2c1nc(cc2)/C=C\1/SC(=S)N(C1=O)C(C(=O)O)CCC(=O)O

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Molecular Weight: 446.5
Empirical Formula: C20H18N2O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.421
Rotatable bonds: 10
H-donors: 2
H-acceptors: 6
PSA: 174
Number of rings: 3

     

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