| BioID | bio2344 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL517383 |
|---|
| Molecular Formula | C31H46N2O3 |
|---|
| Molecular Weight | 494.72 |
|---|
| Molecular Weight (Monoisotopic) | 494.3508 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | 9-O-Stearylisoaaptamine |
|---|
| Smiles | CCCCCCCCCCCCCCCCCC(=O)Oc1c(OC)cc2ccnc3c2c1N(C)C=C3 |
|---|
| Inchi | InChI=1S/C31H46N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(34)36-31-27(35-3)24-25-20-22-32-26-21-23-33(2)30(31)29(25)26/h20-24H,4-19H2,1-3H3 |
|---|
| Inchi Key | BZTPTJCZDWPFNV-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 4.0 |
|---|
| Np Likeness Score | 0.27 |
|---|
| Records Key | ['14'] |
|---|
| Records Name | ['9-O-stearylisoaaptamine'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
