| General Property |
| Molceule ID (DB) | EGIN0000081 |
| Inhibitor Class | Benzoxazepine |
| Molecule Name in Refrence Article | 2ah compound |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-13,14-dimethoxy-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
| Formula | C21H18ClFN2O3 |
| Mass | 400.831 |
| Exact Mass | 400.0989984 |
| Composition | C (62.93%), H (4.53%), Cl (8.84%), F (4.74%), N (6.99%), O (11.97%) |
| Atom Count | 46 |
| PI | 7.96 |
| Smiles | c12c(cccc1Nc1cc(c(cc1)F)Cl)Oc1c(CN2)cc(c(c1)OC)OC |
| InChI | 1S/C21H18ClFN2O3/c1-26-19-8-12-11-24-21-16(25-13-6-7-15(23)14(22)9-13)4-3-5-17(21)28-18(12)10-20(19)
27-2/h3-10,24-25H,11H2,1-2H3 |
| InChIKey | MYYPTPDUFOYWDS-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 | CHEMBL202970 |
