Bioactive Compound Details
| BioID | bio197103 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL357835 |
| Molecular Formula | C12H17N3O6S |
| Molecular Weight | 331.35 |
| Molecular Weight (Monoisotopic) | 331.0838 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-[[(Dimethylamino)Sulfonyl](4-Nitrobenzyl)Amino]Propanoic Acid |
| Smiles | CC(C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)N(C)C |
| Inchi | InChI=1S/C12H17N3O6S/c1-9(12(16)17)14(22(20,21)13(2)3)8-10-4-6-11(7-5-10)15(18)19/h4-7,9H,8H2,1-3H3,(H,16,17) |
| Inchi Key | GCHUGBRBONFHAI-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | -1.15 |
| Records Key | ['A6'] |
| Records Name | ['2-[[(dimethylamino)sulfonyl](4-nitrobenzyl)amino]propanoic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
