COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK628756
Chemical Name: 2-{(5E)-5-[(8-chloroquinolin-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(Cl)ccc3)/C1=O)C(=O)O

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Molecular Weight: 438.98
Empirical Formula: C18H15ClN2O3S3

Physical State: Dry powder
Available Amount: 148 mg

Lipinsky:
logP: 3.186
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 153
Number of rings: 3

     

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