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This is also the case with the difference between compound 4 (clog P: 2.03) and 8 (clog P: 2.05).
However, despite their promising in vitro activity, these compounds have Clog P values of over 5.
This is why, we observe either a positive or negative Clog P term in the QSAR.
Notably, the difference between compound 5 and its analog compound 9 (clog P: 1.80) was found to be larger.
To observe the optimum value of Clog P for these inhibitors, a sufficient spread in the data is required.
Compounds 3c, 3e, and 14a show comparable MIC90 values to that of 19, but have improved Clog P values.
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The theoretical clog P-values of the four compounds are also shown.
We calculated the theoretical clog P-values with ChemDraw Pro ver. 13.0.2.3021 software (PerkinElmer, Waltham, MA).
Compounds 2 and 3 had the lowest clog P-value: −0.58.
The theoretical clog P-values of compounds 6 9 are also shown.
In the case of compound 5, it has the highest clog P-value: 3.00.
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