| General Property |
| Molceule ID (DB) | EGIN0000071 |
| Inhibitor Class | Benzoxazepine |
| Molecule Name in Refrence Article | 2z_x compound |
| IUPAC Name | 7-[(3-chloro-4-fluorophenyl)amino]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene-13-carboxylic acid |
| Formula | C20H14ClFN2O3 |
| Mass | 384.788 |
| Exact Mass | 384.0676982 |
| Composition | C (62.43%), H (3.67%), Cl (9.21%), F (4.94%), N (7.28%), O (12.47%) |
| Atom Count | 41 |
| PI | 3.45 |
| Smiles | c12c(cccc1Nc1cc(c(cc1)F)Cl)Oc1c(CN2)cc(cc1)C(=O)O |
| InChI | 1S/C20H14ClFN2O3/c21-14-9-13(5-6-15(14)22)24-16-2-1-3-18-19(16)23-10-12-8-11(20(25)26)4-7-17(12)27-1
8/h1-9,23-24H,10H2,(H,25,26) |
| InChIKey | YBGGAMJRDSTNKN-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 | - |
