| BioID | bio198529 |
|---|
| Name | METHYL 2-(2-((3-(4-TERT-BUTYLPHENYL)-1-METHYL-1H-PYRAZOL-5-YLOXY)METHYL)PHENYL)-3-METHOXYACRYLATE |
|---|
| ChEMBL ID | CHEMBL2285968 |
|---|
| Molecular Formula | C26H30N2O4 |
|---|
| Molecular Weight | 434.54 |
|---|
| Molecular Weight (Monoisotopic) | 434.2206 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | None |
|---|
| Smiles | CO/C=C(/C(=O)OC)c1ccccc1COc1cc(-c2ccc(C(C)(C)C)cc2)nn1C |
|---|
| Inchi | InChI=1S/C26H30N2O4/c1-26(2,3)20-13-11-18(12-14-20)23-15-24(28(4)27-23)32-16-19-9-7-8-10-21(19)22(17-30-5)25(29)31-6/h7-15,17H,16H2,1-6H3/b22-17+ |
|---|
| Inchi Key | LJVUVTJQBYHAOO-OQKWZONESA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 12.0 |
|---|
| Np Likeness Score | -0.57 |
|---|
| Records Key | ['13'] |
|---|
| Records Name | ['methyl 2-(2-((3-(4-tert-butylphenyl)-1-methyl-1H-pyrazol-5-yloxy)methyl)phenyl)-3-methoxyacrylate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
