Bioactive Compound Details
| BioID | bio197156 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL73306 |
| Molecular Formula | C17H17N3O7S |
| Molecular Weight | 407.4 |
| Molecular Weight (Monoisotopic) | 407.0787 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-((2-Nitrobenzyl){[(Phenylsulfonyl)Amino]Carbonyl}Amino)Propanoic Acid |
| Smiles | CC(C(=O)O)N(Cc1ccccc1[N+](=O)[O-])C(=O)NS(=O)(=O)c1ccccc1 |
| Inchi | InChI=1S/C17H17N3O7S/c1-12(16(21)22)19(11-13-7-5-6-10-15(13)20(24)25)17(23)18-28(26,27)14-8-3-2-4-9-14/h2-10,12H,11H2,1H3,(H,18,23)(H,21,22) |
| Inchi Key | LMDWPERANMECHL-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | -1.28 |
| Records Key | ['C1'] |
| Records Name | ['2-((2-nitrobenzyl){[(phenylsulfonyl)amino]carbonyl}amino)propanoic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
