| General Property |
| Molceule ID (DB) | EGIN0000065 |
| Inhibitor Class | Benzoxazepine |
| Molecule Name in Refrence Article | 2r compound |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-13-methoxy-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
| Formula | C20H16ClFN2O2 |
| Mass | 370.805 |
| Exact Mass | 370.0884337 |
| Composition | C (64.78%), H (4.35%), Cl (9.56%), F (5.12%), N (7.55%), O (8.63%) |
| Atom Count | 42 |
| PI | 7.97 |
| Smiles | c12c(cccc1Nc1cc(c(cc1)F)Cl)Oc1c(CN2)cc(cc1)OC |
| InChI | 1S/C20H16ClFN2O2/c1-25-14-6-8-18-12(9-14)11-23-20-17(3-2-4-19(20)26-18)24-13-5-7-16(22)15(21)10-13/h
2-10,23-24H,11H2,1H3 |
| InChIKey | LQSIRYSPJRJDLM-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 | CHEMBL426124 |
