| BioID | bio197672 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL242612 |
|---|
| Molecular Formula | C10H9F3O5S |
|---|
| Molecular Weight | 298.24 |
|---|
| Molecular Weight (Monoisotopic) | 298.0123 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
|---|
| Target Name | None |
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| Synonyms | 2-(4-Trifluoromethanesulfonyloxy)Phenylpropionic Acid |
|---|
| Smiles | CC(C(=O)O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 |
|---|
| Inchi | InChI=1S/C10H9F3O5S/c1-6(9(14)15)7-2-4-8(5-3-7)18-19(16,17)10(11,12)13/h2-6H,1H3,(H,14,15) |
|---|
| Inchi Key | NHVNEQGTEVFGPL-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | -0.24 |
|---|
| Records Key | ['55'] |
|---|
| Records Name | ['2-(4-trifluoromethanesulfonyloxy)phenylpropionic acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
