COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL001879
Chemical Name: 2-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanedioicacid
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)CC(=O)O

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Molecular Weight: 465.59
Empirical Formula: C22H27NO6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.698
Rotatable bonds: 13
H-donors: 2
H-acceptors: 6
PSA: 161
Number of rings: 2

     

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