| BioID | bio200276 |
|---|
| Name | METHYL 2-(2-((3-(4-BROMOPHENYL)-1-METHYL-1H-PYRAZOL-5-YLOXY)METHYL)PHENYL)-3-METHOXYACRYLATE |
|---|
| ChEMBL ID | CHEMBL2285965 |
|---|
| Molecular Formula | C22H21BrN2O4 |
|---|
| Molecular Weight | 457.32 |
|---|
| Molecular Weight (Monoisotopic) | 456.0685 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | None |
|---|
| Smiles | CO/C=C(/C(=O)OC)c1ccccc1COc1cc(-c2ccc(Br)cc2)nn1C |
|---|
| Inchi | InChI=1S/C22H21BrN2O4/c1-25-21(12-20(24-25)15-8-10-17(23)11-9-15)29-13-16-6-4-5-7-18(16)19(14-27-2)22(26)28-3/h4-12,14H,13H2,1-3H3/b19-14+ |
|---|
| Inchi Key | KLCCSPDGLWPZMC-XMHGGMMESA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 12.0 |
|---|
| Np Likeness Score | -0.51 |
|---|
| Records Key | ['10'] |
|---|
| Records Name | ['methyl 2-(2-((3-(4-bromophenyl)-1-methyl-1H-pyrazol-5-yloxy)methyl)phenyl)-3-methoxyacrylate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
