| ID | 2946 |
| Name | Prestwick_99 |
| Pubchem ID | 271325 |
| KEGG ID | N/A |
| Source | N/A |
| Type | Unknown |
| Function | Unknown |
| Drug Like Properties | Yes |
| Molecular Weight | 436.34 |
| Exact mass | 435.104521 |
| Molecular formula | C21H26BrNO4 |
| XlogP | 4.4 |
| Topological Polar Surface Area | 40.2 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 5 |
| Rotational Bond Count | 6 |
| IUPAC Name | 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3Br)OC)OC)OC)OC |
| Isomeric SMILE | N/A |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |