| BioID | bio197141 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL1819391 |
|---|
| Molecular Formula | C29H32O4 |
|---|
| Molecular Weight | 444.57 |
|---|
| Molecular Weight (Monoisotopic) | 444.2301 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-(3,5-Diphenethoxybenzylidene)Hexanoic Acid |
|---|
| Smiles | CCCC/C(=C\c1cc(OCCc2ccccc2)cc(OCCc2ccccc2)c1)C(=O)O |
|---|
| Inchi | InChI=1S/C29H32O4/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/h4-13,19-22H,2-3,14-18H2,1H3,(H,30,31)/b26-19+ |
|---|
| Inchi Key | SXLWQWVYXFZFOS-LGUFXXKBSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 12.0 |
|---|
| Bioactivities | 16.0 |
|---|
| Np Likeness Score | 0.22 |
|---|
| Records Key | ['24', '8'] |
|---|
| Records Name | ['2-(3,5-diphenethoxybenzylidene)hexanoic acid', '2-(3,5-diphenethoxybenzylidene)hexanoic acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
