| General Property |
| Molceule ID (DB) | EGIN0000082 |
| Inhibitor Class | Benzoxazepine |
| Molecule Name in Refrence Article | 2ai compound |
| IUPAC Name | N-(3-bromophenyl)-13,14-dimethoxy-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
| Formula | C21H19BrN2O3 |
| Mass | 427.291 |
| Exact Mass | 426.0579051 |
| Composition | C (59.03%), H (4.48%), Br (18.7%), N (6.56%), O (11.23%) |
| Atom Count | 46 |
| PI | 7.96 |
| Smiles | c12c(cccc1Nc1cc(ccc1)Br)Oc1c(CN2)cc(c(c1)OC)OC |
| InChI | 1S/C21H19BrN2O3/c1-25-19-9-13-12-23-21-16(24-15-6-3-5-14(22)10-15)7-4-8-17(21)27-18(13)11-20(19)26-2
/h3-11,23-24H,12H2,1-2H3 |
| InChIKey | SEWKVMPYRXEIEH-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 | CHEMBL204223 |
