Bioactive Compound Details
| BioID | bio2569 |
|---|---|
| Name | MYCALENITRILE 9 |
| ChEMBL ID | CHEMBL1081915 |
| Molecular Formula | C27H44N2O |
| Molecular Weight | 412.66 |
| Molecular Weight (Monoisotopic) | 412.3454 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | Mycalenitrile 9 |
| Smiles | N#CCCCCCC/C=C\CCCCCCCCCCCCCc1ccc(C=O)[nH]1 |
| Inchi | InChI=1S/C27H44N2O/c28-24-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-26-22-23-27(25-30)29-26/h6,8,22-23,25,29H,1-5,7,9-21H2/b8-6- |
| Inchi Key | XFWLNFUSRURWSG-VURMDHGXSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 0.81 |
| Records Key | ['9'] |
| Records Name | ['Mycalenitrile-9'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
