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Ligand Download |
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| Ligand Name: (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE | ||
| HET ID: OIN | PubChem: 174174 | |
| DrugBank: - | ChEMBL: CHEMBL1234973 | |
| Canonical SMILES: CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3 | ||
| Standard InChI: InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3 | ||
| Molecular Formula: C17H23NO3 | Mol. Weight: 289.36942 | Heavy Atoms: 21 |
| Charge: 0 | Is Chiral: True | logP: 1.8688 |
| HBD: 1 | HBA: 4 | TPSA: 49.77 |
| #Bonds: 23 | #Rotatable Bonds: 5 | Shape Complexity: 0.5882353 |
| Stereocomplexity: 0.23529412 | ||