| General Property |
| Molceule ID (DB) | EGIN0004033 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3b compound |
| IUPAC Name | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-2-methoxyacetamide |
| Formula | C17H15BrN4O2 |
| Mass | 387.231 |
| Exact Mass | 386.0378384 |
| Composition | C (52.73%), H (3.9%), Br (20.63%), N (14.47%), O (8.26%) |
| Atom Count | 39 |
| PI | 8.4 |
| Smiles | c1(c2c(ncn1)ccc(c2)NC(=O)COC)Nc1cc(Br)ccc1 |
| InChI | 1S/C17H15BrN4O2/c1-24-9-16(23)21-13-5-6-15-14(8-13)17(20-10-19-15)22-12-4-2-3-11(18)7-12/h2-8,10H,9H
2,1H3,(H,21,23)(H,19,20,22) |
| InChIKey | HCGUXPNJBCSZTA-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 | 16078851 |
| 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 |
10318022
|
| Drug Bank Link | - |
| ChemSpider Link | 8493486 |
| ChEMBL Link | CHEMBL192737 |
