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. 2024 Jan 18;14:1608. doi: 10.1038/s41598-024-51708-1

Table 5.

Physicochemical Molinspiration bioactivity score.

Compound GPCR ligand Ion channel modulator Kinase inhibitor Nuclear receptor ligand Protease inhibitor Enzyme inhibitor
7 − 0.05 − 0.28 − 0.38 − 0.13 − 0.05 − 0.02
12 − 0.12 − 0.22 − 0.34 − 0.07 − 0.09 0.02
13 − 0.20 − 0.31 − 0.43 − 0.24 − 0.06 − 0.09