| General Property |
| Molceule ID (DB) | EGIN0000070 |
| Inhibitor Class | Benzoxazepine |
| Molecule Name in Refrence Article | 2w compound |
| IUPAC Name | 7-[(3-bromophenyl)amino]-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene-13-carboxylic acid |
| Formula | C20H15BrN2O3 |
| Mass | 411.249 |
| Exact Mass | 410.026605 |
| Composition | C (58.41%), H (3.68%), Br (19.43%), N (6.81%), O (11.67%) |
| Atom Count | 41 |
| PI | 3.45 |
| Smiles | c12c(cccc1Nc1cc(ccc1)Br)Oc1c(CN2)cc(cc1)C(=O)O |
| InChI | 1S/C20H15BrN2O3/c21-14-3-1-4-15(10-14)23-16-5-2-6-18-19(16)22-11-13-9-12(20(24)25)7-8-17(13)26-18/h1
-10,22-23H,11H2,(H,24,25) |
| InChIKey | SDFAYCVOEXYPHB-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 | CHEMBL205148 |
