Bioactive Compound Details
| BioID | bio2801 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL479875 |
| Molecular Formula | C22H28N2O3 |
| Molecular Weight | 368.48 |
| Molecular Weight (Monoisotopic) | 368.21 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-O-Nonaonylisoaaptamine |
| Smiles | CCCCCCCCC(=O)Oc1c(OC)cc2ccnc3c2c1N(C)C=C3 |
| Inchi | InChI=1S/C22H28N2O3/c1-4-5-6-7-8-9-10-19(25)27-22-18(26-3)15-16-11-13-23-17-12-14-24(2)21(22)20(16)17/h11-15H,4-10H2,1-3H3 |
| Inchi Key | DYZVYLPIAJBRPF-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 0.36 |
| Records Key | ['9'] |
| Records Name | ['9-O-nonaonylisoaaptamine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
