Bioactive Compound Details
| BioID | bio199998 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL369031 |
| Molecular Formula | C11H12O4 |
| Molecular Weight | 208.21 |
| Molecular Weight (Monoisotopic) | 208.0736 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Phenethyl-Malonic Acid |
| Smiles | O=C(O)C(CCc1ccccc1)C(=O)O |
| Inchi | InChI=1S/C11H12O4/c12-10(13)9(11(14)15)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15) |
| Inchi Key | IUZIGXNXWJEZLU-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 0.28 |
| Records Key | ['59'] |
| Records Name | ['2-Phenethyl-malonic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
