| General Property |
| Molceule ID (DB) | EGIN0000054 |
| Inhibitor Class | Benzoxazepine |
| Molecule Name in Refrence Article | 2g compound |
| IUPAC Name | N-(4-chlorophenyl)-13-fluoro-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
| Formula | C19H14ClFN2O |
| Mass | 340.779 |
| Exact Mass | 340.077869 |
| Composition | C (66.97%), H (4.14%), Cl (10.4%), F (5.57%), N (8.22%), O (4.69%) |
| Atom Count | 38 |
| PI | 7.85 |
| Smiles | c12c(cccc1Nc1ccc(cc1)Cl)Oc1c(CN2)cc(cc1)F |
| InChI | 1S/C19H14ClFN2O/c20-13-4-7-15(8-5-13)23-16-2-1-3-18-19(16)22-11-12-10-14(21)6-9-17(12)24-18/h1-10,22
-23H,11H2 |
| InChIKey | WBUHKAPAGXCUHB-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 | CHEMBL204117 |
