Ligand |
||
 | ||
| Ligand Name: N-(5-{[1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-yl]oxy}-1,3,4-thiadiazol-2-yl)-2-phenylacetamide | ||
| HET ID: QAM | PubChem: 121256344 | |
| DrugBank: - | ChEMBL: CHEMBL3769551 | |
| Canonical SMILES: O=C(Nc1nnc(s1)OC1CCN(CC1)c1nnc(s1)N)Cc1ccccc1 | ||
| Standard InChI: InChI=1S/C17H19N7O2S2/c18-14-20-22-16(27-14)24-8-6-12(7-9-24)26-17-23-21-15(28-17)19-13(25)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,18,20)(H,19,21,25) | ||
| Molecular Formula: C17H19N7O2S2 | Mol. Weight: 417.50845 | Heavy Atoms: 28 |
| Charge: 0 | Is Chiral: False | logP: 2.92 |
| HBD: 2 | HBA: 11 | TPSA: 175.63 |
| #Bonds: 31 | #Rotatable Bonds: 7 | Shape Complexity: 0.3529412 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
||
- |