Bioactive Compound Details
| BioID | bio2036 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL522562 |
| Molecular Formula | C15H23Br2ClO |
| Molecular Weight | 414.61 |
| Molecular Weight (Monoisotopic) | 411.9804 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-Isoobtusol |
| Smiles | C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@@]12CC[C@](C)(Br)[C@@H](Cl)C2 |
| Inchi | InChI=1S/C15H23Br2ClO/c1-9-7-10(19)12(16)13(2,3)15(9)6-5-14(4,17)11(18)8-15/h10-12,19H,1,5-8H2,2-4H3/t10-,11-,12-,14-,15+/m0/s1 |
| Inchi Key | JPQFUHCOKXIWBB-ZCRGAIPPSA-N |
| Molecular Species | NEUTRAL |
| Targets | 9.0 |
| Bioactivities | 9.0 |
| Np Likeness Score | 3.18 |
| Records Key | ['13'] |
| Records Name | ['9-isoobtusol'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
