Bioactive Compound Details
| BioID | bio198486 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL153232 |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.24 |
| Molecular Weight (Monoisotopic) | 222.0892 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Benzyl-Pentanedioic Acid |
| Smiles | O=C(O)CCC(Cc1ccccc1)C(=O)O |
| Inchi | InChI=1S/C12H14O4/c13-11(14)7-6-10(12(15)16)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14)(H,15,16) |
| Inchi Key | GUUZXORJVABSSF-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 0.42 |
| Records Key | ['8'] |
| Records Name | ['2-Benzyl-pentanedioic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
