| BioID | bio200252 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL242405 |
|---|
| Molecular Formula | C12H16O5S |
|---|
| Molecular Weight | 272.32 |
|---|
| Molecular Weight (Monoisotopic) | 272.0718 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
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| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-{4-[(Isopropylsulfonyl)Oxy]Phenyl}Propanoic Acid |
|---|
| Smiles | CC(C(=O)O)c1ccc(OS(=O)(=O)C(C)C)cc1 |
|---|
| Inchi | InChI=1S/C12H16O5S/c1-8(2)18(15,16)17-11-6-4-10(5-7-11)9(3)12(13)14/h4-9H,1-3H3,(H,13,14) |
|---|
| Inchi Key | RYJRAAJDGXPLPQ-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | -0.08 |
|---|
| Records Key | ['52'] |
|---|
| Records Name | ['2-{4-[(isopropylsulfonyl)oxy]phenyl}propanoic acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
