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Chemical structures and their predicted activity values of screened hit compounds.
| Hit Compound | Structure | pIC50 (Predicted by CoMFA) | pIC50 (Predicted by CoMSIA) |
|---|---|---|---|
| NCI 51178 |  |
6.620 | 5.502 |
| NCI 51181 |  |
6.438 | 5.443 |
| NCI 51183 |  |
6.254 | 5.330 |
| NCI 51184 |  |
6.180 | 5.429 |
| NCI 77798 |  |
6.728 | 6.946 |
| NCI 79104 |  |
6.571 | 7.032 |
