General Property |
Molceule ID (DB) | EGIN0000068 |
Inhibitor Class | Benzoxazepine |
Molecule Name in Refrence Article | 2u compound |
IUPAC Name | N-(3-bromophenyl)-12-methoxy-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
Formula | C20H17BrN2O2 |
Mass | 397.265 |
Exact Mass | 396.0473404 |
Composition | C (60.47%), H (4.31%), Br (20.11%), N (7.05%), O (8.05%) |
Atom Count | 42 |
PI | 8.03 |
Smiles | c12c(cccc1Nc1cc(ccc1)Br)Oc1c(CN2)c(ccc1)OC |
InChI | 1S/C20H17BrN2O2/c1-24-17-8-4-9-18-15(17)12-22-20-16(7-3-10-19(20)25-18)23-14-6-2-5-13(21)11-14/h2-11
,22-23H,12H2,1H3 |
InChIKey | URYDDFMENRYULU-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000068.png) | Structure Backbone | ![](./frame/f_EGIN0000068.png) |
|
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 | CHEMBL382782 |