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Ligand Download |
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| Ligand Name: (2R)-2-(pyridin-3-yl)-1-azabicyclo[2.2.2]octane | ||
| HET ID: 4VU | PubChem: 10465094 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: c1ccc(cn1)[C@H]1CC2CCN1CC2 | ||
| Standard InChI: InChI=1S/C12H16N2/c1-2-11(9-13-5-1)12-8-10-3-6-14(12)7-4-10/h1-2,5,9-10,12H,3-4,6-8H2/t12-/m1/s1 | ||
| Molecular Formula: C12H16N2 | Mol. Weight: 188.26884 | Heavy Atoms: 14 |
| Charge: 0 | Is Chiral: True | logP: 2.1763 |
| HBD: 0 | HBA: 2 | TPSA: 16.13 |
| #Bonds: 17 | #Rotatable Bonds: 1 | Shape Complexity: 0.5833333 |
| Stereocomplexity: 0.25 | ||