| BioID | bio198999 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL230441 |
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| Molecular Formula | C12H17NO4S |
|---|
| Molecular Weight | 271.34 |
|---|
| Molecular Weight (Monoisotopic) | 271.0878 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-{4-[(Isopropylsulfonyl)Amino]Phenyl}Propanoic Acid |
|---|
| Smiles | CC(C(=O)O)c1ccc(NS(=O)(=O)C(C)C)cc1 |
|---|
| Inchi | InChI=1S/C12H17NO4S/c1-8(2)18(16,17)13-11-6-4-10(5-7-11)9(3)12(14)15/h4-9,13H,1-3H3,(H,14,15) |
|---|
| Inchi Key | DKICTPGZWFRMFF-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | -0.72 |
|---|
| Records Key | ['45'] |
|---|
| Records Name | ['2-{4-[(isopropylsulfonyl)amino]phenyl}propanoic acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
