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Ligand Download |
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| Ligand Name: ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate | ||
| HET ID: BOQ | PubChem: 607286 | |
| DrugBank: - | ChEMBL: CHEMBL1584149 | |
| Canonical SMILES: CCOC(=O)c1cc(oc1CN)C(C)(C)C | ||
| Standard InChI: InChI=1S/C12H19NO3/c1-5-15-11(14)8-6-10(12(2,3)4)16-9(8)7-13/h6H,5,7,13H2,1-4H3 | ||
| Molecular Formula: C12H19NO3 | Mol. Weight: 225.28416 | Heavy Atoms: 16 |
| Charge: 0 | Is Chiral: False | logP: 2.9128 |
| HBD: 1 | HBA: 4 | TPSA: 65.46 |
| #Bonds: 16 | #Rotatable Bonds: 5 | Shape Complexity: 0.5833333 |
| Stereocomplexity: 0.0 | ||