| BioID | bio2590 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL482804 |
|---|
| Molecular Formula | C18H32O2 |
|---|
| Molecular Weight | 280.45 |
|---|
| Molecular Weight (Monoisotopic) | 280.2402 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | 9-Octadecynoic Acid |
|---|
| Smiles | CCCCCCCCC#CCCCCCCCC(=O)O |
|---|
| Inchi | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-8,11-17H2,1H3,(H,19,20) |
|---|
| Inchi Key | RGTIBVZDHOMOKC-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 21.0 |
|---|
| Bioactivities | 36.0 |
|---|
| Np Likeness Score | 0.66 |
|---|
| Records Key | ['3a', '6', 'Stearolic acid'] |
|---|
| Records Name | ['9-octadecynoic acid', '9-octadecynoic acid', 'Stearolic acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
