Bioactive Compound Details
| BioID | bio200231 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL491906 |
| Molecular Formula | C12H20NO5PS |
| Molecular Weight | 321.34 |
| Molecular Weight (Monoisotopic) | 321.08 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-(Pentylsulfonamido)Benzylphosphonic Acid |
| Smiles | CCCCCS(=O)(=O)Nc1ccccc1CP(=O)(O)O |
| Inchi | InChI=1S/C12H20NO5PS/c1-2-3-6-9-20(17,18)13-12-8-5-4-7-11(12)10-19(14,15)16/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H2,14,15,16) |
| Inchi Key | NMRNAOQBMIHIPQ-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | -0.85 |
| Records Key | ['13e'] |
| Records Name | ['2-(Pentylsulfonamido)benzylphosphonic Acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
