Bioactive Compound Details
| BioID | bio2800 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL481852 |
| Molecular Formula | C21H26N2O3 |
| Molecular Weight | 354.45 |
| Molecular Weight (Monoisotopic) | 354.1943 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-O-Octanoylisoaaptamine |
| Smiles | CCCCCCCC(=O)Oc1c(OC)cc2ccnc3c2c1N(C)C=C3 |
| Inchi | InChI=1S/C21H26N2O3/c1-4-5-6-7-8-9-18(24)26-21-17(25-3)14-15-10-12-22-16-11-13-23(2)20(21)19(15)16/h10-14H,4-9H2,1-3H3 |
| Inchi Key | SXLMUAUALAVVAS-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 0.38 |
| Records Key | ['8'] |
| Records Name | ['9-O-octanoylisoaaptamine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
