Bioactive Compound Details
| BioID | bio199171 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL190829 |
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.28 |
| Molecular Weight (Monoisotopic) | 206.1307 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-(3-Butylphenyl)Propanoic Acid |
| Smiles | CCCCc1cccc(C(C)C(=O)O)c1 |
| Inchi | InChI=1S/C13H18O2/c1-3-4-6-11-7-5-8-12(9-11)10(2)13(14)15/h5,7-10H,3-4,6H2,1-2H3,(H,14,15) |
| Inchi Key | RYDHTZRQIQMPSZ-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 2.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 0.32 |
| Records Key | ['18', '89'] |
| Records Name | ['2-(3-butylphenyl)propanoic acid', '2-(3-Butyl-phenyl)-propionic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
