COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL307768
Chemical Name: 2-{(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanedioicacid
Smiles: OC(=O)CCC(N1C(=S)S/C(=C\c2ccc3c(n2)c(Cl)ccc3)/C1=O)C(=O)O

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Molecular Weight: 436.9
Empirical Formula: C18H13ClN2O5S2

Physical State: Dry powder
Available Amount: 149 mg

Lipinsky:
logP: 1.379
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 165
Number of rings: 3

     

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