Ligand |
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| Ligand Name: 2-[(4~{R})-4-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-(trifluoromethyl)phenyl]ethanamide | ||
| HET ID: 7ZW | PubChem: 8092415 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: CC(C[C@H]1NC(=O)N(C1=O)CC(=O)Nc1ccc(cc1)C(F)(F)F)C | ||
| Standard InChI: InChI=1S/C16H18F3N3O3/c1-9(2)7-12-14(24)22(15(25)21-12)8-13(23)20-11-5-3-10(4-6-11)16(17,18)19/h3-6,9,12H,7-8H2,1-2H3,(H,20,23)(H,21,25)/t12-/m1/s1 | ||
| Molecular Formula: C16H18F3N3O3 | Mol. Weight: 357.32764 | Heavy Atoms: 25 |
| Charge: 0 | Is Chiral: True | logP: 2.9501 |
| HBD: 2 | HBA: 6 | TPSA: 78.51 |
| #Bonds: 27 | #Rotatable Bonds: 7 | Shape Complexity: 0.4375 |
| Stereocomplexity: 0.0625 | Ligand Type: Small Molecule | |
Binding Affinity |
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