| General Property |
| Molceule ID (DB) | EGIN0000049 |
| Inhibitor Class | Benzoxazepine |
| Molecule Name in Refrence Article | 2b compound |
| IUPAC Name | N-benzyl-13-fluoro-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
| Formula | C20H17FN2O |
| Mass | 320.3602 |
| Exact Mass | 320.1324914 |
| Composition | C (74.98%), H (5.35%), F (5.93%), N (8.74%), O (4.99%) |
| Atom Count | 41 |
| PI | 8.34 |
| Smiles | c12c(cccc1NCc1ccccc1)Oc1c(CN2)cc(cc1)F |
| InChI | 1S/C20H17FN2O/c21-16-9-10-18-15(11-16)13-23-20-17(7-4-8-19(20)24-18)22-12-14-5-2-1-3-6-14/h1-11,22-2
3H,12-13H2 |
| InChIKey | IQMXMOANZLLQGG-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 | CHEMBL379041 |
