COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK740885
Chemical Name: 4-{(5Z)-5-[(8-chloroquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoicacid
Smiles: OC(=O)CCCN1C(=S)S/C(=C\c2ccc3c(n2)c(Cl)ccc3)/C1=O

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Molecular Weight: 392.89
Empirical Formula: C17H13ClN2O3S2

Physical State: Dry powder
Available Amount: 357 mg

Lipinsky:
logP: 2.003
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 127
Number of rings: 3

     

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