Ligand |
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| Ligand Name: 4-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide | ||
| HET ID: H92 | PubChem: 145925563 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: Fc1ncc(cc1c1ccc(cc1)C(=O)N)[C@H]1C[C@H]2N[C@@H]1CC2 | ||
| Standard InChI: InChI=1S/C18H18FN3O/c19-17-15(10-1-3-11(4-2-10)18(20)23)7-12(9-21-17)14-8-13-5-6-16(14)22-13/h1-4,7,9,13-14,16,22H,5-6,8H2,(H2,20,23)/t13-,14+,16+/m0/s1 | ||
| Molecular Formula: C18H18FN3O | Mol. Weight: 311.35342 | Heavy Atoms: 23 |
| Charge: 0 | Is Chiral: True | logP: 3.6236 |
| HBD: 2 | HBA: 4 | TPSA: 68.01 |
| #Bonds: 29 | #Rotatable Bonds: 3 | Shape Complexity: 0.33333334 |
| Stereocomplexity: 0.16666667 | Ligand Type: Small Molecule | |
Binding Affinity |
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