| General Property |
| Molceule ID (DB) | EGIN0000076 |
| Inhibitor Class | Benzoxazepine |
| Molecule Name in Refrence Article | 2ac compound |
| IUPAC Name | N-{7-[(3-bromophenyl)amino]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-13-yl}prop-2-enamide |
| Formula | C22H18BrN3O2 |
| Mass | 436.301 |
| Exact Mass | 435.0582395 |
| Composition | C (60.56%), H (4.16%), Br (18.31%), N (9.63%), O (7.33%) |
| Atom Count | 46 |
| PI | 7.96 |
| Smiles | c12c(cccc1Nc1cc(ccc1)Br)Oc1c(CN2)cc(cc1)NC(=O)C=C |
| InChI | 1S/C22H18BrN3O2/c1-2-21(27)26-17-9-10-19-14(11-17)13-24-22-18(7-4-8-20(22)28-19)25-16-6-3-5-15(23)12
-16/h2-12,24-25H,1,13H2,(H,26,27) |
| InChIKey | PSAQWHADCZZEHV-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 | 16412636 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
-
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL381541 |
