| General Property |
| Molceule ID (DB) | EGIN0000058 |
| Inhibitor Class | Benzoxazepine |
| Molecule Name in Refrence Article | 2k compound |
| IUPAC Name | N-(3-bromophenyl)-13-fluoro-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
| Formula | C19H14BrFN2O |
| Mass | 385.23 |
| Exact Mass | 384.0273539 |
| Composition | C (59.24%), H (3.66%), Br (20.74%), F (4.93%), N (7.27%), O (4.15%) |
| Atom Count | 38 |
| PI | 7.85 |
| Smiles | c12c(cccc1Nc1cc(ccc1)Br)Oc1c(CN2)cc(cc1)F |
| InChI | 1S/C19H14BrFN2O/c20-13-3-1-4-15(10-13)23-16-5-2-6-18-19(16)22-11-12-9-14(21)7-8-17(12)24-18/h1-10,22
-23H,11H2 |
| InChIKey | XHSVJBAJWKWEKW-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 | CHEMBL204965 |
