Bioactive Compound Details
| BioID | bio200142 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL458500 |
| Molecular Formula | C15H16O7 |
| Molecular Weight | 308.29 |
| Molecular Weight (Monoisotopic) | 308.0896 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Isosorbide-2-Aspirinate |
| Smiles | CC(=O)Oc1ccccc1C(=O)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O |
| Inchi | InChI=1S/C15H16O7/c1-8(16)21-11-5-3-2-4-9(11)15(18)22-12-7-20-13-10(17)6-19-14(12)13/h2-5,10,12-14,17H,6-7H2,1H3/t10-,12+,13-,14-/m1/s1 |
| Inchi Key | NSZSKBVMZCOOIC-YXCITZCRSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 9.0 |
| Np Likeness Score | 0.63 |
| Records Key | ['5b', '10'] |
| Records Name | ['isosorbide-2-aspirinate', 'isosorbide-2-aspirinate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
