COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK044514
Chemical Name: dimethyl2-[6-ethoxy-2,2-dimethyl-3-thioxo-1-{[4-(trifluoromethyl)phenyl]carbonyl}-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Smiles: CCOc1ccc2c(c1)/C(=C/1\SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)c1ccc(cc1)C(F)(F)F)(C)C

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Molecular Weight: 623.69
Empirical Formula: C28H24F3NO6S3

Physical State: Dry powder
Available Amount: 454 mg

Lipinsky:
logP: 6.355
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 164
Number of rings: 4

     

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