Bioactive Compound Details
| BioID | bio197447 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL271584 |
| Molecular Formula | C14H17NO7 |
| Molecular Weight | 311.29 |
| Molecular Weight (Monoisotopic) | 311.1005 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-{[7-(Nitrooxy)Heptanoyl]Oxy}Benzoic Acid |
| Smiles | O=C(CCCCCCO[N+](=O)[O-])Oc1ccccc1C(=O)O |
| Inchi | InChI=1S/C14H17NO7/c16-13(9-3-1-2-6-10-21-15(19)20)22-12-8-5-4-7-11(12)14(17)18/h4-5,7-8H,1-3,6,9-10H2,(H,17,18) |
| Inchi Key | OTWPLFWTKCAIDC-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 4.0 |
| Bioactivities | 7.0 |
| Np Likeness Score | -0.3 |
| Records Key | ['32'] |
| Records Name | ['2-{[7-(nitrooxy)heptanoyl]oxy}benzoic Acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
