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. 2022 Apr 29;33(5):1799–1813. doi: 10.1007/s11224-022-01939-7

Table 5.

Toxicity prediction for ligands

Compound Hepatotoxicity Carcinogenicity Mutagenicity Cytotoxicity LD50 (mg kg−1)
12 Inactive Active Inactive Inactive 1000
15 Inactive Inactive Inactive Inactive 340
17 Inactive Inactive Inactive Inactive 2000
18 Inactive Inactive Inactive Inactive 9000
41 Inactive Inactive Inactive Inactive 500
62 Inactive Active Inactive Inactive 2000
66 Inactive Inactive Active Inactive 3850