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Ligand Download |
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| Ligand Name: (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-INDOLE-3-CARBOXYLATE | ||
| HET ID: TKT | PubChem: 656665 | |
| DrugBank: DB11699 | ChEMBL: CHEMBL56564 | |
| Canonical SMILES: CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 | ||
| Standard InChI: InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+ | ||
| Molecular Formula: C17H20N2O2 | Mol. Weight: 284.3529 | Heavy Atoms: 21 |
| Charge: 0 | Is Chiral: True | logP: 2.8878 |
| HBD: 1 | HBA: 3 | TPSA: 45.33 |
| #Bonds: 28 | #Rotatable Bonds: 3 | Shape Complexity: 0.47058824 |
| Stereocomplexity: 0.1764706 | ||