| BioID | bio199512 |
|---|
| Name | METHYL 2-(2-((1,4-DIMETHYL-3-(4-(2,2,2-TRIFLUOROETHOXY)PHENYL)-1H-PYRAZOL-5-YLOXY)METHYL)PHENYL)-3-METHOXYACRYLATE |
|---|
| ChEMBL ID | CHEMBL2285962 |
|---|
| Molecular Formula | C25H25F3N2O5 |
|---|
| Molecular Weight | 490.48 |
|---|
| Molecular Weight (Monoisotopic) | 490.1716 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | None |
|---|
| Smiles | CO/C=C(/C(=O)OC)c1ccccc1COc1c(C)c(-c2ccc(OCC(F)(F)F)cc2)nn1C |
|---|
| Inchi | InChI=1S/C25H25F3N2O5/c1-16-22(17-9-11-19(12-10-17)35-15-25(26,27)28)29-30(2)23(16)34-13-18-7-5-6-8-20(18)21(14-32-3)24(31)33-4/h5-12,14H,13,15H2,1-4H3/b21-14+ |
|---|
| Inchi Key | HSSRVLNWLCKMEB-KGENOOAVSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 12.0 |
|---|
| Np Likeness Score | -0.7 |
|---|
| Records Key | ['35'] |
|---|
| Records Name | ['methyl 2-(2-((1,4-dimethyl-3-(4-(2,2,2-trifluoroethoxy)phenyl)-1H-pyrazol-5-yloxy)methyl)phenyl)-3-methoxyacrylate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
