| BioID | bio197842 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL404916 |
|---|
| Molecular Formula | C22H40O4 |
|---|
| Molecular Weight | 368.56 |
|---|
| Molecular Weight (Monoisotopic) | 368.2927 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | Diethyl 2-Pentadecylidenemalonate|Diethyl-2-Pentadecylidenemalonate |
|---|
| Smiles | CCCCCCCCCCCCCCC=C(C(=O)OCC)C(=O)OCC |
|---|
| Inchi | InChI=1S/C22H40O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21(23)25-5-2)22(24)26-6-3/h19H,4-18H2,1-3H3 |
|---|
| Inchi Key | APIJHPAXMCKJBY-UHFFFAOYSA-N |
|---|
| Molecular Species | None |
|---|
| Targets | 9.0 |
|---|
| Bioactivities | 40.0 |
|---|
| Np Likeness Score | 0.39 |
|---|
| Records Key | ['1b', '4.4; LoCAM', '1b', '16'] |
|---|
| Records Name | ['diethyl 2-pentadecylidenemalonate', 'diethyl 2-pentadecylidenemalonate', 'Diethyl-2-pentadecylidenemalonate', 'diethyl 2-pentadecylidenemalonate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
