| BioID | bio198345 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL1911029 |
|---|
| Molecular Formula | C19H28O3S |
|---|
| Molecular Weight | 336.5 |
|---|
| Molecular Weight (Monoisotopic) | 336.1759 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | Octyl-2',5'-Dimethoxythiocinnamate |
|---|
| Smiles | CCCCCCCCSC(=O)/C=C/c1cc(OC)ccc1OC |
|---|
| Inchi | InChI=1S/C19H28O3S/c1-4-5-6-7-8-9-14-23-19(20)13-10-16-15-17(21-2)11-12-18(16)22-3/h10-13,15H,4-9,14H2,1-3H3/b13-10+ |
|---|
| Inchi Key | XPUQTPUZPANXTE-JLHYYAGUSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | -0.06 |
|---|
| Records Key | ['36'] |
|---|
| Records Name | [Octyl-2',5'-dimethoxythiocinnamate"]" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
