Ligand |
||
 | ||
| Ligand Name: 2-((5-(3,7-Diazabicyclo[3.3.1]nonan-3-yl)pyridin-3-yl)oxy)-N,N-dimethylethanamine | ||
| HET ID: 6S7 | PubChem: 66553212 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CN(CCOc1cncc(c1)N1C[C@@H]2CNC[C@H](C1)C2)C | ||
| Standard InChI: InChI=1S/C16H26N4O/c1-19(2)3-4-21-16-6-15(9-18-10-16)20-11-13-5-14(12-20)8-17-7-13/h6,9-10,13-14,17H,3-5,7-8,11-12H2,1-2H3/t13-,14+ | ||
| Molecular Formula: C16H26N4O | Mol. Weight: 290.40384 | Heavy Atoms: 21 |
| Charge: 0 | Is Chiral: True | logP: 1.4615 |
| HBD: 1 | HBA: 5 | TPSA: 40.63 |
| #Bonds: 25 | #Rotatable Bonds: 5 | Shape Complexity: 0.6875 |
| Stereocomplexity: 0.125 | Ligand Type: Small Molecule | |
Binding Affinity |
||
- |