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Ligand Download |
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| Ligand Name: 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM | ||
| HET ID: HI6 | PubChem: 135590423 | |
| DrugBank: - | ChEMBL: CHEMBL385181 | |
| Canonical SMILES: O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N | ||
| Standard InChI: InChI=1S/C14H14N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-9H,10-11H2,(H-,15,19)/p+2 | ||
| Molecular Formula: C14H16N4O3++ | Mol. Weight: 288.30185 | Heavy Atoms: 21 |
| Charge: 2 | Is Chiral: False | logP: 0.5007 |
| HBD: 2 | HBA: 5 | TPSA: 92.67 |
| #Bonds: 22 | #Rotatable Bonds: 6 | Shape Complexity: 0.14285715 |
| Stereocomplexity: 0.0 | ||