Bioactive Compound Details
| BioID | bio3 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL4460596 |
| Molecular Formula | C21H18N4O |
| Molecular Weight | 342.4 |
| Molecular Weight (Monoisotopic) | 342.1481 |
| Type | Unknown |
| Max Phase | -- |
| Target ID | Tar34 |
| Target Name | IBD2 |
| Synonyms | None |
| Smiles | Oc1ccc2nc(-c3cccc(N4CCc5ccccc5C4)n3)[nH]c2c1 |
| Inchi | InChI=1S/C21H18N4O/c26-16-8-9-17-19(12-16)24-21(23-17)18-6-3-7-20(22-18)25-11-10-14-4-1-2-5-15(14)13-25/h1-9,12,26H,10-11,13H2,(H,23,24) |
| Inchi Key | BSPUWGRPHLVNSE-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 6.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | -0.89 |
| Records Key | ['BD2'] |
| Records Name | ['2-(6-(3,4-dihydroisoquinolin-2(1H)-yl)pyridin-2-yl)-1H-benzo[d]imidazol-6-ol'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
