| ID | 3269 |
| Name | STOCK1N-45781 |
| Pubchem ID | 84072 |
| KEGG ID | N/A |
| Source | N/A |
| Type | Unknown |
| Function | Unknown |
| Drug Like Properties | Yes |
| Molecular Weight | 474.55 |
| Exact mass | 474.215472 |
| Molecular formula | C28H30N2O5 |
| XlogP | 3.6 |
| Topological Polar Surface Area | 85.9 |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 6 |
| Rotational Bond Count | 7 |
| IUPAC Name | N-[(7S)-1,2,3-trimethoxy-9-oxo-10-(phenylmethylamino)-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCC4=CC=CC=C4)OC)OC)OC |
| Isomeric SMILE | CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCC4=CC=CC=C4)OC)OC)OC |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |