Bioactive Compound Details
| BioID | bio197473 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL449557 |
| Molecular Formula | C8H12O4 |
| Molecular Weight | 172.18 |
| Molecular Weight (Monoisotopic) | 172.0736 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-(1-Methylethylidene)Pentanedioic Acid |
| Smiles | CC(C)=C(CCC(=O)O)C(=O)O |
| Inchi | InChI=1S/C8H12O4/c1-5(2)6(8(11)12)3-4-7(9)10/h3-4H2,1-2H3,(H,9,10)(H,11,12) |
| Inchi Key | FMLQKYAZHSLEKX-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 4.0 |
| Bioactivities | 9.0 |
| Np Likeness Score | 1.4 |
| Records Key | ['5'] |
| Records Name | ['2-(1-Methylethylidene)pentanedioic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
