Bioactive Compound Details
| BioID | bio200309 |
|---|---|
| Name | 2-BROMOSECOBOLDINE |
| ChEMBL ID | CHEMBL2238354 |
| Molecular Formula | C19H20BrNO4 |
| Molecular Weight | 406.28 |
| Molecular Weight (Monoisotopic) | 405.0576 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | None |
| Smiles | CNCCc1c(Br)c(O)c(OC)c2c1ccc1cc(O)c(OC)cc12 |
| Inchi | InChI=1S/C19H20BrNO4/c1-21-7-6-12-11-5-4-10-8-14(22)15(24-2)9-13(10)16(11)19(25-3)18(23)17(12)20/h4-5,8-9,21-23H,6-7H2,1-3H3 |
| Inchi Key | PFWPUFBKEGTGHR-UHFFFAOYSA-N |
| Molecular Species | BASE |
| Targets | 2.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 1.27 |
| Records Key | ['2'] |
| Records Name | ['2-Bromosecoboldine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
