Bioactive Compound Details
| BioID | bio2144 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL505151 |
| Molecular Formula | C20H24N2O3 |
| Molecular Weight | 340.42 |
| Molecular Weight (Monoisotopic) | 340.1787 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-O-Heptonylisoaaptamine |
| Smiles | CCCCCCC(=O)Oc1c(OC)cc2ccnc3c2c1N(C)C=C3 |
| Inchi | InChI=1S/C20H24N2O3/c1-4-5-6-7-8-17(23)25-20-16(24-3)13-14-9-11-21-15-10-12-22(2)19(20)18(14)15/h9-13H,4-8H2,1-3H3 |
| Inchi Key | QPCFGRZJQYDOHZ-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 0.39 |
| Records Key | ['7'] |
| Records Name | ['9-O-heptonylisoaaptamine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
