| General Property |
| Molceule ID (DB) | EGIN0000077 |
| Inhibitor Class | Benzoxazepine |
| Molecule Name in Refrence Article | 2ad compound |
| IUPAC Name | N-{7-[(3-chloro-4-fluorophenyl)amino]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-13-yl}prop-2-enamide |
| Formula | C22H17ClFN3O2 |
| Mass | 409.841 |
| Exact Mass | 409.0993327 |
| Composition | C (64.47%), H (4.18%), Cl (8.65%), F (4.64%), N (10.25%), O (7.81%) |
| Atom Count | 46 |
| PI | 7.96 |
| Smiles | c12c(cccc1Nc1cc(c(cc1)F)Cl)Oc1c(CN2)cc(cc1)NC(=O)C=C |
| InChI | 1S/C22H17ClFN3O2/c1-2-21(28)27-14-7-9-19-13(10-14)12-25-22-18(4-3-5-20(22)29-19)26-15-6-8-17(24)16(2
3)11-15/h2-11,25-26H,1,12H2,(H,27,28) |
| InChIKey | CIQDXORRLHDWFT-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 | CHEMBL204164 |
