Bioactive Compound Details
| BioID | bio2203 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL479876 |
| Molecular Formula | C23H30N2O3 |
| Molecular Weight | 382.5 |
| Molecular Weight (Monoisotopic) | 382.2256 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-O-Decanoylisoaaptamine |
| Smiles | CCCCCCCCCC(=O)Oc1c(OC)cc2ccnc3c2c1N(C)C=C3 |
| Inchi | InChI=1S/C23H30N2O3/c1-4-5-6-7-8-9-10-11-20(26)28-23-19(27-3)16-17-12-14-24-18-13-15-25(2)22(23)21(17)18/h12-16H,4-11H2,1-3H3 |
| Inchi Key | GOCXUIBMLVNYBN-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 0.35 |
| Records Key | ['10'] |
| Records Name | ['9-O-decanoylisoaaptamine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
