P694
| Id | 694 |
| Inchikey | KIPALFXJCVMDSL-UHFFFAOYSA-N |
| Smiles | O=C(NCc1ncc[nH]1)c1ccnc(-n2cccc2)c1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.866338 |
| Binding_energy | -46.646488 |
| Ligand_energy | 42.63167137476323 |
| Placement | Placement_695 "DNV2_NS5A-x0472 w/ C695" |