| BioID | bio198432 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL1819390 |
|---|
| Molecular Formula | C29H34O4 |
|---|
| Molecular Weight | 446.59 |
|---|
| Molecular Weight (Monoisotopic) | 446.2457 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-(3,5-Diphenethoxybenzyl)Hexanoic Acid |
|---|
| Smiles | CCCCC(Cc1cc(OCCc2ccccc2)cc(OCCc2ccccc2)c1)C(=O)O |
|---|
| Inchi | InChI=1S/C29H34O4/c1-2-3-14-26(29(30)31)19-25-20-27(32-17-15-23-10-6-4-7-11-23)22-28(21-25)33-18-16-24-12-8-5-9-13-24/h4-13,20-22,26H,2-3,14-19H2,1H3,(H,30,31) |
|---|
| Inchi Key | ZWRNDAOEALINEI-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 12.0 |
|---|
| Bioactivities | 16.0 |
|---|
| Np Likeness Score | 0.07 |
|---|
| Records Key | ['23', '7'] |
|---|
| Records Name | ['2-(3,5-diphenethoxybenzyl)hexanoic acid', '2-(3,5-diphenethoxybenzyl)hexanoic acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
