General Property |
Molceule ID (DB) | EGIN0000048 |
Inhibitor Class | Benzoxazepine |
Molecule Name in Refrence Article | 2a compound |
IUPAC Name | N-benzyl-13-bromo-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
Formula | C20H17BrN2O |
Mass | 381.266 |
Exact Mass | 380.0524258 |
Composition | C (63%), H (4.49%), Br (20.96%), N (7.35%), O (4.2%) |
Atom Count | 41 |
PI | 8.44 |
Smiles | c12c(cccc1NCc1ccccc1)Oc1c(CN2)cc(cc1)Br |
InChI | 1S/C20H17BrN2O/c21-16-9-10-18-15(11-16)13-23-20-17(7-4-8-19(20)24-18)22-12-14-5-2-1-3-6-14/h1-11,22-
23H,12-13H2 |
InChIKey | SSWWMZYDLGFECR-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000048.png) | Structure Backbone | ![](./frame/f_EGIN0000048.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 | CHEMBL381306 |