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Theoretical data of molecular properties for triazole analogues 6, 23, 32, 34 and 37.
| Entry | Compound | T.brucei(BSF) EC50(μM) | pEC50 | clog P | LipE | MW | No of H bond donors | No of H bond acceptors |
|---|---|---|---|---|---|---|---|---|
| 1 | 23 | 1.8±0.1 | 5.75 | 5.163 | 0.59 | 407.6 | 1 | 6 |
| 2 | 32 | 3.2±0.1 | 5.49 | 9.056 | −3.57 | 571.8 | 0 | 7 |
| 3 | 34 | 28.5±4.6 | 4.55 | 7.336 | −2.79 | 559.8 | 1 | 8 |
| 4 | 37 | 5.2±0.3 | 5.29 | 8.935 | −3.65 | 649.9 | 1 | 8 |
| 5 | 6 | 1.4±0.1 | 5.86 | 9.208 | −3.35 | 604.9 | 1 | 6 |
