| General Property |
| Molceule ID (DB) | EGIN0000050 |
| Inhibitor Class | Benzoxazepine |
| Molecule Name in Refrence Article | 2c compound |
| IUPAC Name | N-benzyl-13-methoxy-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
| Formula | C21H20N2O2 |
| Mass | 332.3957 |
| Exact Mass | 332.1524779 |
| Composition | C (75.88%), H (6.06%), N (8.43%), O (9.63%) |
| Atom Count | 45 |
| PI | 8.46 |
| Smiles | c12c(cccc1NCc1ccccc1)Oc1c(CN2)cc(cc1)OC |
| InChI | 1S/C21H20N2O2/c1-24-17-10-11-19-16(12-17)14-23-21-18(8-5-9-20(21)25-19)22-13-15-6-3-2-4-7-15/h2-12,2
2-23H,13-14H2,1H3 |
| InChIKey | VJLXJFSZETYGKT-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 | CHEMBL204335 |
