Bioactive Compound Details
| BioID | bio200145 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL154237 |
| Molecular Formula | C14H20O2 |
| Molecular Weight | 220.31 |
| Molecular Weight (Monoisotopic) | 220.1463 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Benzyl-Heptanoic Acid |
| Smiles | CCCCCC(Cc1ccccc1)C(=O)O |
| Inchi | InChI=1S/C14H20O2/c1-2-3-5-10-13(14(15)16)11-12-8-6-4-7-9-12/h4,6-9,13H,2-3,5,10-11H2,1H3,(H,15,16) |
| Inchi Key | UWRIDFWFGAJTSH-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 0.34 |
| Records Key | ['11'] |
| Records Name | ['2-Benzyl-heptanoic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
