COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL307766
Chemical Name: 2-{(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-3-methylbutanoicacid
Smiles: CC(C(N1C(=S)S/C(=C\c2ccc3c(n2)c(Cl)ccc3)/C1=O)C(=O)O)C

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Molecular Weight: 406.91
Empirical Formula: C18H15ClN2O3S2

Physical State: Dry powder
Available Amount: 158 mg

Lipinsky:
logP: 3.013
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 127
Number of rings: 3

     

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