COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK086271
Chemical Name: dimethyl2-[6-methoxy-2,2-dimethyl-3-thioxo-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Smiles: COc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)C(F)(F)F)(C)C

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Molecular Weight: 533.57
Empirical Formula: C21H18F3NO6S3

Physical State: Dry powder
Available Amount: 370 mg

Lipinsky:
logP: 5.885
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 164
Number of rings: 3

     

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