Ligand |
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| Ligand Name: 4-({3-[2-(dimethylamino)ethyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide | ||
| HET ID: TWV | PubChem: 60164834 | |
| DrugBank: - | ChEMBL: CHEMBL3907295 | |
| Canonical SMILES: ONC(=O)c1ccc(cc1)Cn1cc(c2c1cccc2)CCN(C)C | ||
| Standard InChI: InChI=1S/C20H23N3O2/c1-22(2)12-11-17-14-23(19-6-4-3-5-18(17)19)13-15-7-9-16(10-8-15)20(24)21-25/h3-10,14,25H,11-13H2,1-2H3,(H,21,24) | ||
| Molecular Formula: C20H23N3O2 | Mol. Weight: 337.41553 | Heavy Atoms: 25 |
| Charge: 0 | Is Chiral: False | logP: 3.3036 |
| HBD: 2 | HBA: 5 | TPSA: 57.5 |
| #Bonds: 27 | #Rotatable Bonds: 7 | Shape Complexity: 0.25 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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