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. 2025 Aug 21;15(36):29544–29559. doi: 10.1039/d5ra04955e

Table 2. Physicochemical Molinspiration bioactivity score.

Compound GPCR ligand Ion channel modulator Kinase inhibitor Nuclear receptor ligand Protease inhibitor Enzyme inhibitor
1 −0.35 −0.28 −0.53 −0.07 −0.31 −0.23
2 −0.21 −0.25 −0.39 −0.12 −0.30 −0.14
6 −0.31 −0.45 −0.70 −0.31 −0.47 −0.23