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. 2020 Feb 7;11(5):971–976. doi: 10.1021/acsmedchemlett.0c00011

Table 2. Enzyme Activities for the Active, Synthesized Compounds and Predicted Properties.

Comp IC50 (DNMT3B) μM QPlogSa QPlogPb ClogPc
33a 45.0 –5.59 2.76 2.86
33f 28.0 –5.20 2.12 2.29
33g 11.0 –4.10 1.59 1.37
33b 10.0 –3.27 1.81 2.35
33h 8.0 –5.56 1.29 0.85
a

QikProp prediction of aqueous solubility, log S. S in mol/L.

b

QikProp and

c

ChemDraw predictions of octanol/water partition coefficient.