| General Property |
| Molceule ID (DB) | EGIN0000061 |
| Inhibitor Class | Benzoxazepine |
| Molecule Name in Refrence Article | 2n compound |
| IUPAC Name | 13-bromo-N-(3-chloro-4-fluorophenyl)-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
| Formula | C19H13BrClFN2O |
| Mass | 419.675 |
| Exact Mass | 417.9883816 |
| Composition | C (54.38%), H (3.12%), Br (19.04%), Cl (8.45%), F (4.53%), N (6.68%), O (3.81%) |
| Atom Count | 38 |
| PI | 7.95 |
| Smiles | c12c(cccc1Nc1cc(c(cc1)F)Cl)Oc1c(CN2)cc(cc1)Br |
| InChI | 1S/C19H13BrClFN2O/c20-12-4-7-17-11(8-12)10-23-19-16(2-1-3-18(19)25-17)24-13-5-6-15(22)14(21)9-13/h1-
9,23-24H,10H2 |
| InChIKey | IDBFIFSISSHFES-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 | CHEMBL206280 |
