Table 5 Toxicity profile of the synthesized compounds 2a-j using toxicity prediction, extensible protocol of Accelrys Discovery studio 4.5.
Compound | Aerobic Bio-Degradability | Ames Prediction | Carcinogenicity Potency in mouse | Carcinogenic Potency in rat | TOPKAT_Rat Oral LD50 (g/kg body weight) | TOPKAT_Rat Maximum Tolerated Dose_Feed (g/kg body weight) | TOPKAT_Rat Maximum Tolerated Dose_Gavage (g/kg body weight) |
|---|---|---|---|---|---|---|---|
2a | Degradable | Non-Mutagen | NO | NO | 0.704822 | 0.0811332 | 0.0818904 |
2b | Non-Degradable | Non-Mutagen | NO | NO | 0.447766 | 0.083154 | 0.0685762 |
2c | Degradable | Non-Mutagen | NO | NO | 6.1736 | 0.0429369 | 0.0838771 |
2d | Non-Degradable | Non-Mutagen | NO | NO | 0.838456 | 0.0687107 | 0.0526526 |
2e | Non-Degradable | Non-Mutagen | NO | NO | 2.13901 | 0.0444935 | 0.00920672 |
2f | Non-Degradable | Non-Mutagen | NO | NO | 0.277806 | 0.0680889 | 0.00552672 |
2g | Degradable | Non-Mutagen | NO | NO | 1.55518 | 0.173071 | 0.0428836 |
2h | Non-Degradable | Non-Mutagen | NO | NO | 0.222574 | 0.276438 | 0.0268914 |
2i | Non-Degradable | Mutagen | NO | NO | 4.71945 | 0.039854 | 0.0344951 |
2j | Non-Degradable | Non-Mutagen | NO | NO | 0.665194 | 0.0623034 | 0.0211534 |
