| General Property |
| Molceule ID (DB) | EGIN0000048 |
| Inhibitor Class | Benzoxazepine |
| Molecule Name in Refrence Article | 2a compound |
| IUPAC Name | N-benzyl-13-bromo-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
| Formula | C20H17BrN2O |
| Mass | 381.266 |
| Exact Mass | 380.0524258 |
| Composition | C (63%), H (4.49%), Br (20.96%), N (7.35%), O (4.2%) |
| Atom Count | 41 |
| PI | 8.44 |
| Smiles | c12c(cccc1NCc1ccccc1)Oc1c(CN2)cc(cc1)Br |
| InChI | 1S/C20H17BrN2O/c21-16-9-10-18-15(11-16)13-23-20-17(7-4-8-19(20)24-18)22-12-14-5-2-1-3-6-14/h1-11,22-
23H,12-13H2 |
| InChIKey | SSWWMZYDLGFECR-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 |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL381306 |
