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Ligand Download |
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| Ligand Name: [(1R,5S)-8-PHENETHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL] BENZOATE | ||
| HET ID: V37 | PubChem: 53245679 | |
| DrugBank: - | ChEMBL: CHEMBL1947053 | |
| Canonical SMILES: O=C(c1ccccc1)O[C@@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1 | ||
| Standard InChI: InChI=1S/C22H25NO2/c24-22(18-9-5-2-6-10-18)25-21-15-19-11-12-20(16-21)23(19)14-13-17-7-3-1-4-8-17/h1-10,19-21H,11-16H2/t19-,20+,21+ | ||
| Molecular Formula: C22H25NO2 | Mol. Weight: 335.4394 | Heavy Atoms: 25 |
| Charge: 0 | Is Chiral: True | logP: 4.0194 |
| HBD: 0 | HBA: 3 | TPSA: 29.54 |
| #Bonds: 31 | #Rotatable Bonds: 6 | Shape Complexity: 0.4090909 |
| Stereocomplexity: 0.13636364 | ||