Bioactive Compound Details
| BioID | bio2468 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL481851 |
| Molecular Formula | C19H22N2O3 |
| Molecular Weight | 326.4 |
| Molecular Weight (Monoisotopic) | 326.163 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-O-Hexonylisoaaptamine |
| Smiles | CCCCCC(=O)Oc1c(OC)cc2ccnc3c2c1N(C)C=C3 |
| Inchi | InChI=1S/C19H22N2O3/c1-4-5-6-7-16(22)24-19-15(23-3)12-13-8-10-20-14-9-11-21(2)18(19)17(13)14/h8-12H,4-7H2,1-3H3 |
| Inchi Key | ZMDFAJCIDQNOBD-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 0.36 |
| Records Key | ['6'] |
| Records Name | ['9-O-hexonylisoaaptamine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
