Ligand |
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| Ligand Name: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine | ||
| HET ID: VGH | PubChem: 11626560 | |
| DrugBank: DB08700 | ChEMBL: CHEMBL601719 | |
| Canonical SMILES: Nc1ncc(cc1O[C@@H](c1c(Cl)ccc(c1Cl)F)C)c1cnn(c1)C1CCNCC1 | ||
| Standard InChI: InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1 | ||
| Molecular Formula: C21H22Cl2FN5O | Mol. Weight: 450.33667 | Heavy Atoms: 30 |
| Charge: 0 | Is Chiral: True | logP: 5.9477 |
| HBD: 2 | HBA: 6 | TPSA: 77.99 |
| #Bonds: 34 | #Rotatable Bonds: 5 | Shape Complexity: 0.33333334 |
| Stereocomplexity: 0.04761905 | Ligand Type: Small Molecule | |
Binding Affinity |
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