P442
| Id | 442 |
| Inchikey | CHCQUOPYRFINFW-UHFFFAOYSA-N |
| Smiles | CCc1ccnc(C(=O)N(C)CCCN(C)C(=O)c2cnc[nH]2)c1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.952343 |
| Binding_energy | -112.641992 |
| Ligand_energy | 39.22714316628492 |
| Placement | Placement_442 "DNV2_NS5A-x0191 w/ C442" |