Ligand |
||
 | ||
| Ligand Name: 8-[4-[2-[4-(3-chlorophenyl)-4-methyl-piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one | ||
| HET ID: FQQ | PubChem: 138393340 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O=c1[nH]cnc2c1ccnc2n1ncc(c1)CCN1CCC(CC1)(C)C | ||
| Standard InChI: InChI=1S/C19H24N6O/c1-19(2)5-9-24(10-6-19)8-4-14-11-23-25(12-14)17-16-15(3-7-20-17)18(26)22-13-21-16/h3,7,11-13H,4-6,8-10H2,1-2H3,(H,21,22,26) | ||
| Molecular Formula: C19H24N6O | Mol. Weight: 352.43347 | Heavy Atoms: 26 |
| Charge: 0 | Is Chiral: False | logP: 2.1062 |
| HBD: 1 | HBA: 6 | TPSA: 79.7 |
| #Bonds: 30 | #Rotatable Bonds: 4 | Shape Complexity: 0.47368422 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
||
- |