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Ligand Download |
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| Ligand Name: 2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid | ||
| HET ID: 5V0 | PubChem: 73670714 | |
| DrugBank: - | ChEMBL: CHEMBL3775994 | |
| Canonical SMILES: OC(=O)c1ccnc(c1)CNCc1ccco1 | ||
| Standard InChI: InChI=1S/C12H12N2O3/c15-12(16)9-3-4-14-10(6-9)7-13-8-11-2-1-5-17-11/h1-6,13H,7-8H2,(H,15,16) | ||
| Molecular Formula: C12H12N2O3 | Mol. Weight: 232.23528 | Heavy Atoms: 17 |
| Charge: 0 | Is Chiral: False | logP: 2.0535 |
| HBD: 2 | HBA: 5 | TPSA: 75.36 |
| #Bonds: 18 | #Rotatable Bonds: 5 | Shape Complexity: 0.16666667 |
| Stereocomplexity: 0.0 | ||