Bioactive Compound Details
| BioID | bio2345 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL479877 |
| Molecular Formula | C25H34N2O3 |
| Molecular Weight | 410.56 |
| Molecular Weight (Monoisotopic) | 410.2569 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-O-Laurylisoaaptamine |
| Smiles | CCCCCCCCCCCC(=O)Oc1c(OC)cc2ccnc3c2c1N(C)C=C3 |
| Inchi | InChI=1S/C25H34N2O3/c1-4-5-6-7-8-9-10-11-12-13-22(28)30-25-21(29-3)18-19-14-16-26-20-15-17-27(2)24(25)23(19)20/h14-18H,4-13H2,1-3H3 |
| Inchi Key | BMUOPBNXDBKHPJ-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 0.33 |
| Records Key | ['11'] |
| Records Name | ['9-O-laurylisoaaptamine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
