Bioactive Compound Details
| BioID | bio200307 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL490116 |
| Molecular Formula | C13H19NO4S |
| Molecular Weight | 285.36 |
| Molecular Weight (Monoisotopic) | 285.1035 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-(Pentylsulfonamidomethyl)Benzoic Acid |
| Smiles | CCCCCS(=O)(=O)NCc1ccccc1C(=O)O |
| Inchi | InChI=1S/C13H19NO4S/c1-2-3-6-9-19(17,18)14-10-11-7-4-5-8-12(11)13(15)16/h4-5,7-8,14H,2-3,6,9-10H2,1H3,(H,15,16) |
| Inchi Key | FHSKLWOLCLADJG-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | -0.97 |
| Records Key | ['5e'] |
| Records Name | ['2-(Pentylsulfonamidomethyl)benzoic Acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
