Ligand |
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| Ligand Name: 3-(HYDROXY-PHENYL-PHOSPHINOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER | ||
| HET ID: TGN | PubChem: 644013 | |
| DrugBank: DB08618 | ChEMBL: CHEMBL1236271 | |
| Canonical SMILES: COC(=O)[C@H]1[C@H](C[C@H]2N([C@@H]1CC2)C)O[P@](=O)(c1ccccc1)O | ||
| Standard InChI: InChI=1S/C16H22NO5P/c1-17-11-8-9-13(17)15(16(18)21-2)14(10-11)22-23(19,20)12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3,(H,19,20)/t11-,13+,14-,15+/m0/s1 | ||
| Molecular Formula: C16H22NO5P | Mol. Weight: 339.32333 | Heavy Atoms: 23 |
| Charge: 0 | Is Chiral: True | logP: 1.4761 |
| HBD: 1 | HBA: 6 | TPSA: 85.88 |
| #Bonds: 29 | #Rotatable Bonds: 5 | Shape Complexity: 0.5625 |
| Stereocomplexity: 0.3125 | Ligand Type: Small Molecule | |
Binding Affinity |
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