| BioID | bio197092 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL1819392 |
|---|
| Molecular Formula | C28H32O4S |
|---|
| Molecular Weight | 464.63 |
|---|
| Molecular Weight (Monoisotopic) | 464.2021 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-[(3,5-Diphenethoxyphenyl)Thio]Hexanoic Acid |
|---|
| Smiles | CCCCC(Sc1cc(OCCc2ccccc2)cc(OCCc2ccccc2)c1)C(=O)O |
|---|
| Inchi | InChI=1S/C28H32O4S/c1-2-3-14-27(28(29)30)33-26-20-24(31-17-15-22-10-6-4-7-11-22)19-25(21-26)32-18-16-23-12-8-5-9-13-23/h4-13,19-21,27H,2-3,14-18H2,1H3,(H,29,30) |
|---|
| Inchi Key | YPUJBYXOCXRKCD-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 12.0 |
|---|
| Bioactivities | 15.0 |
|---|
| Np Likeness Score | -0.27 |
|---|
| Records Key | ['9', '21'] |
|---|
| Records Name | ['2-[(3,5-Diphenethoxyphenyl)thio]hexanoic acid', '2-[(3,5-diphenethoxyphenyl)thio]hexanoic acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
