| General Property |
| Molceule ID (DB) | EGIN0000269 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3d compound |
| IUPAC Name | N-(3-bromophenyl)-8-[2-(dimethylamino)ethyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine |
| Formula | C20H20BrN5 |
| Mass | 410.31 |
| Exact Mass | 409.0902083 |
| Composition | C (58.54%), H (4.91%), Br (19.47%), N (17.07%) |
| Atom Count | 46 |
| PI | 12.42 |
| Smiles | c12c(cc3c(c1)ccn3CCN(C)C)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C20H20BrN5/c1-25(2)8-9-26-7-6-14-10-17-18(12-19(14)26)22-13-23-20(17)24-16-5-3-4-15(21)11-16/h3-7
,10-13H,8-9H2,1-2H3,(H,22,23,24) |
| InChIKey | PUGPTATVELXSCS-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 | 9154973 |
| 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 |
5328287
|
| Drug Bank Link | - |
| ChemSpider Link | 4485452 |
| ChEMBL Link | CHEMBL37373 |
