Bioactive Compound Details
| BioID | bio199382 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1762650 |
| Molecular Formula | C12H23NaO2 |
| Molecular Weight | 222.3 |
| Molecular Weight (Monoisotopic) | 200.1776 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Sodium 2-Buyloctanoate |
| Smiles | CCCCCCC(CCCC)C(=O)[O-].[Na+] |
| Inchi | InChI=1S/C12H24O2.Na/c1-3-5-7-8-10-11(12(13)14)9-6-4-2;/h11H,3-10H2,1-2H3,(H,13,14);/q;+1/p-1 |
| Inchi Key | RLNKVYQAJLLYGU-UHFFFAOYSA-M |
| Molecular Species | ACID |
| Targets | 3.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 0.67 |
| Records Key | ['11'] |
| Records Name | ['sodium 2-Buyloctanoate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
