Ligand |
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| Ligand Name: 2-phenyl-N-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide | ||
| HET ID: Q9M | PubChem: 121256374 | |
| DrugBank: - | ChEMBL: CHEMBL3769936 | |
| Canonical SMILES: O=C(Nc1nnc(s1)OC1CN(C1)c1nnc(s1)NC(=O)Cc1ccccc1)Cc1ccccc1 | ||
| Standard InChI: InChI=1S/C23H21N7O3S2/c31-18(11-15-7-3-1-4-8-15)24-20-26-28-22(34-20)30-13-17(14-30)33-23-29-27-21(35-23)25-19(32)12-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,24,26,31)(H,25,27,32) | ||
| Molecular Formula: C23H21N7O3S2 | Mol. Weight: 507.58795 | Heavy Atoms: 35 |
| Charge: 0 | Is Chiral: False | logP: 3.2306 |
| HBD: 2 | HBA: 12 | TPSA: 178.71 |
| #Bonds: 39 | #Rotatable Bonds: 11 | Shape Complexity: 0.2173913 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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