| General Property |
| Molceule ID (DB) | EGIN0000063 |
| Inhibitor Class | Benzoxazepine |
| Molecule Name in Refrence Article | 2p compound |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-13-fluoro-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
| Formula | C19H13ClF2N2O |
| Mass | 358.769 |
| Exact Mass | 358.0684472 |
| Composition | C (63.61%), H (3.65%), Cl (9.88%), F (10.59%), N (7.81%), O (4.46%) |
| Atom Count | 38 |
| PI | 7.85 |
| Smiles | c12c(cccc1Nc1cc(c(cc1)F)Cl)Oc1c(CN2)cc(cc1)F |
| InChI | 1S/C19H13ClF2N2O/c20-14-9-13(5-6-15(14)22)24-16-2-1-3-18-19(16)23-10-11-8-12(21)4-7-17(11)25-18/h1-9
,23-24H,10H2 |
| InChIKey | RTINKARIPMJMMV-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 | CHEMBL424853 |
