Bioactive Compound Details
| BioID | bio198685 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2062972 |
| Molecular Formula | C23H28Br3N3O4 |
| Molecular Weight | 650.21 |
| Molecular Weight (Monoisotopic) | 646.963 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Aplysamine-2 |
| Smiles | COc1ccc(C/C(=N\O)C(=O)NCCc2cc(Br)c(OCCCN(C)C)c(Br)c2)cc1Br |
| Inchi | InChI=1S/C23H28Br3N3O4/c1-29(2)9-4-10-33-22-18(25)12-16(13-19(22)26)7-8-27-23(30)20(28-31)14-15-5-6-21(32-3)17(24)11-15/h5-6,11-13,31H,4,7-10,14H2,1-3H3,(H,27,30)/b28-20+ |
| Inchi Key | RCOAHKXJTMBQLI-VFCFBJKWSA-N |
| Molecular Species | BASE |
| Targets | 23.0 |
| Bioactivities | 29.0 |
| Np Likeness Score | -0.01 |
| Records Key | ['3', '5', '10'] |
| Records Name | ['aplysamine-2', 'Aplysamine 2', 'Aplysamine-2'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
