| BioID | bio59483 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL4528844 |
|---|
| Molecular Formula | C22H17F3N4O |
|---|
| Molecular Weight | 410.4 |
|---|
| Molecular Weight (Monoisotopic) | 410.1354 |
|---|
| Type | Unknown |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar41 |
|---|
| Target Name | IBD6 |
|---|
| Synonyms | None |
|---|
| Smiles | COc1ccc(-c2ccc(Cn3cc(-c4ccc(C(F)(F)F)cc4)nn3)cc2)cn1 |
|---|
| Inchi | InChI=1S/C22H17F3N4O/c1-30-21-11-8-18(12-26-21)16-4-2-15(3-5-16)13-29-14-20(27-28-29)17-6-9-19(10-7-17)22(23,24)25/h2-12,14H,13H2,1H3 |
|---|
| Inchi Key | XMICLSPUPFMDHT-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 4.0 |
|---|
| Np Likeness Score | -1.77 |
|---|
| Records Key | ['BD6'] |
|---|
| Records Name | ['2-methoxy-5-(4-((4-(4-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-1-yl)methyl)phenyl)pyridine'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
