| General Property |
| Molceule ID (DB) | EGIN0000066 |
| Inhibitor Class | Benzoxazepine |
| Molecule Name in Refrence Article | 2s compound |
| IUPAC Name | 13-fluoro-N-(3-phenylphenyl)-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
| Formula | C25H19FN2O |
| Mass | 382.4296 |
| Exact Mass | 382.1481414 |
| Composition | C (78.52%), H (5.01%), F (4.97%), N (7.33%), O (4.18%) |
| Atom Count | 48 |
| PI | 7.85 |
| Smiles | c12c(cccc1Nc1cc(ccc1)c1ccccc1)Oc1c(CN2)cc(cc1)F |
| InChI | 1S/C25H19FN2O/c26-20-12-13-23-19(14-20)16-27-25-22(10-5-11-24(25)29-23)28-21-9-4-8-18(15-21)17-6-2-1
-3-7-17/h1-15,27-28H,16H2 |
| InChIKey | KEOBUDWAFLAGGW-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL206320 |
