| General Property |
| Molceule ID (DB) | EGIN0000356 |
| Inhibitor Class | Diazepine |
| Molecule Name in Refrence Article | 4acompound |
| IUPAC Name | N-(3-bromophenyl)-13,14-dimethoxy-2,4,6,9-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
| Formula | C19H18BrN5O2 |
| Mass | 428.283 |
| Exact Mass | 427.0643875 |
| Composition | C (53.28%), H (4.24%), Br (18.66%), N (16.35%), O (7.47%) |
| Atom Count | 45 |
| PI | 9.77 |
| Smiles | c12c(ncnc1Nc1cc(ccc1)Br)Nc1c(CN2)cc(c(c1)OC)OC |
| InChI | 1S/C19H18BrN5O2/c1-26-15-6-11-9-21-17-18(24-13-5-3-4-12(20)7-13)22-10-23-19(17)25-14(11)8-16(15)27-2
/h3-8,10,21H,9H2,1-2H3,(H2,22,23,24,25) |
| InChIKey | GMVZFARWPGHHOU-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 | 16887347 |
| 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 |
11611655
|
| Drug Bank Link | - |
| ChemSpider Link | 9786410 |
| ChEMBL Link | CHEMBL215055 |
