| General Property |
| Molceule ID (DB) | EGIN0000069 |
| Inhibitor Class | Benzoxazepine |
| Molecule Name in Refrence Article | 2v compound |
| IUPAC Name | N-(3-bromophenyl)-13-(trifluoromethoxy)-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
| Formula | C20H14BrF3N2O2 |
| Mass | 451.237 |
| Exact Mass | 450.019075 |
| Composition | C (53.23%), H (3.13%), Br (17.71%), F (12.63%), N (6.21%), O (7.09%) |
| Atom Count | 42 |
| PI | 7.91 |
| Smiles | c12c(cccc1Nc1cc(ccc1)Br)Oc1c(CN2)cc(cc1)OC(F)(F)F |
| InChI | 1S/C20H14BrF3N2O2/c21-13-3-1-4-14(10-13)26-16-5-2-6-18-19(16)25-11-12-9-15(28-20(22,23)24)7-8-17(12)
27-18/h1-10,25-26H,11H2 |
| InChIKey | MXLBQIHSVUALCA-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 | CHEMBL203664 |
