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Ligand Download |
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| Ligand Name: ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate | ||
| HET ID: I28 | PubChem: 2129850, 4921756 | |
| DrugBank: - | ChEMBL: CHEMBL4063356 | |
| Canonical SMILES: CCOC(=O)c1c(oc2c1c(CN1CCC(CC1)C)c(cc2)O)c1ccccc1 | ||
| Standard InChI: InChI=1S/C24H27NO4/c1-3-28-24(27)22-21-18(15-25-13-11-16(2)12-14-25)19(26)9-10-20(21)29-23(22)17-7-5-4-6-8-17/h4-10,16,26H,3,11-15H2,1-2H3 | ||
| Molecular Formula: C24H27NO4 | Mol. Weight: 393.4755 | Heavy Atoms: 29 |
| Charge: 0 | Is Chiral: False | logP: 5.1519 |
| HBD: 1 | HBA: 5 | TPSA: 62.91 |
| #Bonds: 32 | #Rotatable Bonds: 6 | Shape Complexity: 0.375 |
| Stereocomplexity: 0.0 | ||