Ligand |
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| Ligand Name: 4-(diethylamino)benzaldehyde | ||
| HET ID: 3W9 | PubChem: 67114 | |
| DrugBank: - | ChEMBL: CHEMBL3416563 | |
| Canonical SMILES: CCN(c1ccc(cc1)C=O)CC | ||
| Standard InChI: InChI=1S/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3 | ||
| Molecular Formula: C11H15NO | Mol. Weight: 177.2429 | Heavy Atoms: 13 |
| Charge: 0 | Is Chiral: False | logP: 2.3453 |
| HBD: 0 | HBA: 2 | TPSA: 20.31 |
| #Bonds: 13 | #Rotatable Bonds: 4 | Shape Complexity: 0.36363637 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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