| General Property |
| Molceule ID (DB) | EGIN0000075 |
| Inhibitor Class | Benzoxazepine |
| Molecule Name in Refrence Article | 2ab 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}methanesulfonamide |
| Formula | C20H17ClFN3O3S |
| Mass | 433.884 |
| Exact Mass | 433.066318 |
| Composition | C (55.36%), H (3.95%), Cl (8.17%), F (4.38%), N (9.68%), O (11.06%), S (7.39%) |
| Atom Count | 46 |
| PI | 6.42 |
| Smiles | c12c(cccc1Nc1cc(c(cc1)F)Cl)Oc1c(CN2)cc(cc1)NS(=O)(=O)C |
| InChI | 1S/C20H17ClFN3O3S/c1-29(26,27)25-14-6-8-18-12(9-14)11-23-20-17(3-2-4-19(20)28-18)24-13-5-7-16(22)15(
21)10-13/h2-10,23-25H,11H2,1H3 |
| InChIKey | IZWNMJVVQJLOBU-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 | CHEMBL202650 |
