| General Property |
| Molceule ID (DB) | EGIN0000078 |
| Inhibitor Class | Benzoxazepine |
| Molecule Name in Refrence Article | 2ae compound |
| IUPAC Name | N-(3-bromophenyl)-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
| Formula | C19H15BrN2O |
| Mass | 367.239 |
| Exact Mass | 366.0367758 |
| Composition | C (62.14%), H (4.12%), Br (21.76%), N (7.63%), O (4.36%) |
| Atom Count | 38 |
| PI | 8.05 |
| Smiles | c12c(cccc1Nc1cc(ccc1)Br)Oc1c(CN2)cccc1 |
| InChI | 1S/C19H15BrN2O/c20-14-6-3-7-15(11-14)22-16-8-4-10-18-19(16)21-12-13-5-1-2-9-17(13)23-18/h1-11,21-22H
,12H2 |
| InChIKey | ZFRJMFTZZPFIPC-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 | CHEMBL203219 |
