COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK062217
Chemical Name: dimethyl2-[2,2,6,7-tetramethyl-1-(thiophen-2-ylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C\2/c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)c2cccs2)C)/S1)C(=O)OC

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Molecular Weight: 545.73
Empirical Formula: C25H23NO5S4

Physical State: Dry powder
Available Amount: 190 mg

Lipinsky:
logP: 5.502
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 183
Number of rings: 4

     

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