COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK618201
Chemical Name: 2-{(5E)-5-[(8-ethoxyquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-4-(methylsulfanyl)butanoicacid
Smiles: CSCCC(N1C(=S)S/C(=C/c2ccc3c(n2)c(OCC)ccc3)/C1=O)C(=O)O

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Molecular Weight: 448.59
Empirical Formula: C20H20N2O4S3

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 3.227
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 162
Number of rings: 3

     

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