Ligand |
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| Ligand Name: 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | ||
| HET ID: I40 | PubChem: 448167 | |
| DrugBank: DB07940 | ChEMBL: CHEMBL1233502 | |
| Canonical SMILES: Ic1cccc(c1)CNc1c2CCCCc2nc2c1cccc2 | ||
| Standard InChI: InChI=1S/C20H19IN2/c21-15-7-5-6-14(12-15)13-22-20-16-8-1-3-10-18(16)23-19-11-4-2-9-17(19)20/h1,3,5-8,10,12H,2,4,9,11,13H2,(H,22,23) | ||
| Molecular Formula: C20H19IN2 | Mol. Weight: 414.2827 | Heavy Atoms: 23 |
| Charge: 0 | Is Chiral: False | logP: 5.4033 |
| HBD: 1 | HBA: 2 | TPSA: 24.92 |
| #Bonds: 26 | #Rotatable Bonds: 3 | Shape Complexity: 0.25 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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