| General Property |
| Molceule ID (DB) | EGIN0000074 |
| Inhibitor Class | Benzoxazepine |
| Molecule Name in Refrence Article | 2aa 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}methanesulfonamide |
| Formula | C20H18BrN3O3S |
| Mass | 460.344 |
| Exact Mass | 459.0252248 |
| Composition | C (52.18%), H (3.94%), Br (17.36%), N (9.13%), O (10.43%), S (6.97%) |
| Atom Count | 46 |
| PI | 6.42 |
| Smiles | c12c(cccc1Nc1cc(ccc1)Br)Oc1c(CN2)cc(cc1)NS(=O)(=O)C |
| InChI | 1S/C20H18BrN3O3S/c1-28(25,26)24-16-8-9-18-13(10-16)12-22-20-17(6-3-7-19(20)27-18)23-15-5-2-4-14(21)1
1-15/h2-11,22-24H,12H2,1H3 |
| InChIKey | AGWNZGLPRILGHJ-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 | CHEMBL382186 |
