Bioactive Compound Details
| BioID | bio199315 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL78794 |
| Molecular Formula | C9H8O4 |
| Molecular Weight | 180.16 |
| Molecular Weight (Monoisotopic) | 180.0423 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Phenyl-Malonic Acid |
| Smiles | O=C(O)C(C(=O)O)c1ccccc1 |
| Inchi | InChI=1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13) |
| Inchi Key | WWYDYZMNFQIYPT-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 2.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | -0.03 |
| Records Key | ['9', '1', 'Fragment 6'] |
| Records Name | ['2-Phenyl-malonic acid', '2-Phenyl-malonic acid', '2-Phenyl-malonic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
