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Ligand Download |
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| Ligand Name: 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | ||
| HET ID: HLO | PubChem: 101601748, 108049, 135398751, 135520674, 135889861, 139031161, 52947981, 6308540, 6849545, 135666470, 135752462, 138397604, 16214796 | |
| DrugBank: - | ChEMBL: CHEMBL1233344 | |
| Canonical SMILES: O/N=C/c1cc(/C=N/O)cc[n+]1COC[n+]1ccc(cc1)C(=O)N | ||
| Standard InChI: InChI=1S/C15H15N5O4/c16-15(21)13-2-4-19(5-3-13)10-24-11-20-6-1-12(8-17-22)7-14(20)9-18-23/h1-9H,10-11H2,(H2-,16,21,22,23)/p+2 | ||
| Molecular Formula: C15H17N5O4++ | Mol. Weight: 331.32657 | Heavy Atoms: 24 |
| Charge: 2 | Is Chiral: False | logP: 0.3088 |
| HBD: 3 | HBA: 7 | TPSA: 125.26 |
| #Bonds: 25 | #Rotatable Bonds: 7 | Shape Complexity: 0.13333334 |
| Stereocomplexity: 0.0 | ||