| ID | 2563 |
| Name | LS-87158 |
| Pubchem ID | 5361180 |
| KEGG ID | N/A |
| Source | N/A |
| Type | Unknown |
| Function | Unknown |
| Drug Like Properties | No |
| Molecular Weight | 611.51 |
| Exact mass | 610.196105 |
| Molecular formula | C28H36Cl2N4O7 |
| XlogP | N/A |
| Topological Polar Surface Area | 116 |
| H-Bond Donor | 3 |
| H-Bond Acceptor | 10 |
| Rotational Bond Count | 12 |
| IUPAC Name | (E)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]-[2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethoxy]azanium dichloride |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | COC1=C(C=C(C=C1)C(=[NH+]OCC(=O)NCC[NH+]2CCOCC2)C3=NC=CC4=CC(=C(C=C43)OC)OC)OC.[Cl-].[Cl-] |
| Isomeric SMILE | COC1=C(C=C(C=C1)/C(=[NH+]OCC(=O)NCC[NH+]2CCOCC2)/C3=NC=CC4=CC(=C(C=C43)OC)OC)OC.[Cl-].[Cl-] |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |