| General Property |
| Molceule ID (DB) | EGIN0000632 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | 4-(3- bromo, 4-hydroxyanilino)-6,7-dimethoxyquinazoline (WHI-P154) |
| IUPAC Name | 2-bromo-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol |
| Formula | C16H14BrN3O3 |
| Mass | 376.205 |
| Exact Mass | 375.021854 |
| Composition | C (51.08%), H (3.75%), Br (21.24%), N (11.17%), O (12.76%) |
| Atom Count | 37 |
| PI | 6.79 |
| Smiles | c12c(cc(c(c1)OC)OC)ncnc2Nc1cc(c(cc1)O)Br |
| InChI | 1S/C16H14BrN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-13(21)11(17)5-9/h3-8,21H,1-2H3,
(H,18,19,20) |
| InChIKey | CBIAKDAYHRWZCU-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 10632369 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | BTK | IR | JAK1 | HCK | JAK3 | SYK | ALL |
| Pub Chem Link |
3795
|
| Drug Bank Link | - |
| ChemSpider Link | 3663 |
| ChEMBL Link | CHEMBL473773 |
