Bioactive Compound Details
| BioID | bio200271 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL611526 |
| Molecular Formula | C13H23N3O8S |
| Molecular Weight | 381.41 |
| Molecular Weight (Monoisotopic) | 381.1206 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Fructose-2-Snap |
| Smiles | CC(=O)N[C@@H](C(=O)N[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O)C(C)(C)SN=O |
| Inchi | InChI=1S/C13H23N3O8S/c1-6(19)14-9(12(2,3)25-16-23)11(22)15-13(5-18)10(21)8(20)7(4-17)24-13/h7-10,17-18,20-21H,4-5H2,1-3H3,(H,14,19)(H,15,22)/t7-,8-,9+,10+,13-/m1/s1 |
| Inchi Key | AVVPEGDFVYGILS-JJKYCLHCSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 10.0 |
| Np Likeness Score | 0.92 |
| Records Key | ['Fructose-2-SNAP'] |
| Records Name | ['Fructose-2-SNAP'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
