General Property |
Molceule ID (DB) | EGIN0000069 |
Inhibitor Class | Benzoxazepine |
Molecule Name in Refrence Article | 2v compound |
IUPAC Name | N-(3-bromophenyl)-13-(trifluoromethoxy)-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
Formula | C20H14BrF3N2O2 |
Mass | 451.237 |
Exact Mass | 450.019075 |
Composition | C (53.23%), H (3.13%), Br (17.71%), F (12.63%), N (6.21%), O (7.09%) |
Atom Count | 42 |
PI | 7.91 |
Smiles | c12c(cccc1Nc1cc(ccc1)Br)Oc1c(CN2)cc(cc1)OC(F)(F)F |
InChI | 1S/C20H14BrF3N2O2/c21-13-3-1-4-14(10-13)26-16-5-2-6-18-19(16)25-11-12-9-15(28-20(22,23)24)7-8-17(12)
27-18/h1-10,25-26H,11H2 |
InChIKey | MXLBQIHSVUALCA-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000069.png) | Structure Backbone | ![](./frame/f_EGIN0000069.png) |
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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 | CHEMBL203664 |