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 |