| ID | 1761 |
| Name | CID5361182 |
| Pubchem ID | 5361182 |
| KEGG ID | N/A |
| Source | N/A |
| Type | Unknown |
| Function | Unknown |
| Drug Like Properties | No |
| Molecular Weight | 687.61 |
| Exact mass | 686.227405 |
| Molecular formula | C34H40Cl2N4O7 |
| XlogP | N/A |
| Topological Polar Surface Area | 107 |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 10 |
| Rotational Bond Count | 13 |
| IUPAC Name | (E)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]-[2-(2-morpholin-4-ium-4-ylethyl-phenylamino)-2-oxoethoxy]azanium dichloride |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | COC1=C(C=C(C=C1)C(=[NH+]OCC(=O)N(CC[NH+]2CCOCC2)C3=CC=CC=C3)C4=NC=CC5=CC(=C(C=C54)OC)OC)OC.[Cl-].[Cl-] |
| Isomeric SMILE | COC1=C(C=C(C=C1)/C(=[NH+]OCC(=O)N(CC[NH+]2CCOCC2)C3=CC=CC=C3)/C4=NC=CC5=CC(=C(C=C54)OC)OC)OC.[Cl-].[Cl-] |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |