| BioID | bio198102 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL117487 |
|---|
| Molecular Formula | C8H14O2 |
|---|
| Molecular Weight | 142.2 |
|---|
| Molecular Weight (Monoisotopic) | 142.0994 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-Ene-Valproate |
|---|
| Smiles | CC/C=C(\CCC)C(=O)O |
|---|
| Inchi | InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h5H,3-4,6H2,1-2H3,(H,9,10)/b7-5+ |
|---|
| Inchi Key | ZKNJEOBYOLUGKJ-FNORWQNLSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 8.0 |
|---|
| Bioactivities | 10.0 |
|---|
| Np Likeness Score | 1.39 |
|---|
| Records Key | ['8', '7', '2-ene-valproate', '2-en(E) valproic acid'] |
|---|
| Records Name | ['(E)-2-Propyl-pent-2-enoic acid', '(E)-2-Propyl-pent-2-enoic acid', '2-ene-valproate', '2-en(E) valproic acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
