| General Property |
| Molceule ID (DB) | EGIN0000271 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3f compound |
| IUPAC Name | N-(3-bromophenyl)-8-[2-(morpholin-4-yl)ethyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine |
| Formula | C22H22BrN5O |
| Mass | 452.347 |
| Exact Mass | 451.100773 |
| Composition | C (58.41%), H (4.9%), Br (17.66%), N (15.48%), O (3.54%) |
| Atom Count | 51 |
| PI | 11.46 |
| Smiles | c12c(cc3c(c1)ccn3CCN1CCOCC1)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C22H22BrN5O/c23-17-2-1-3-18(13-17)26-22-19-12-16-4-5-28(7-6-27-8-10-29-11-9-27)21(16)14-20(19)24-
15-25-22/h1-5,12-15H,6-11H2,(H,24,25,26) |
| InChIKey | SZOXQULADAMXOQ-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 |
5328289
|
| Drug Bank Link | - |
| ChemSpider Link | 4485454 |
| ChEMBL Link | CHEMBL40130 |
