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Ligand Download |
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| Ligand Name: (2R,3S,5R,7S)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane | ||
| HET ID: TI4 | PubChem: 91808049 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: c1ccc(cn1)[C@H]1[C@@H]2C[C@@H]3CN1C[C@H](C2)C3 | ||
| Standard InChI: InChI=1S/C14H18N2/c1-2-12(7-15-3-1)14-13-5-10-4-11(6-13)9-16(14)8-10/h1-3,7,10-11,13-14H,4-6,8-9H2/t10-,11+,13-,14-/m0/s1 | ||
| Molecular Formula: C14H18N2 | Mol. Weight: 214.30612 | Heavy Atoms: 16 |
| Charge: 0 | Is Chiral: True | logP: 2.4223 |
| HBD: 0 | HBA: 2 | TPSA: 16.13 |
| #Bonds: 23 | #Rotatable Bonds: 1 | Shape Complexity: 0.64285713 |
| Stereocomplexity: 0.35714287 | ||