 |
| 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 |
Ligand Type: Small Molecule |