| General Property |
| Molceule ID (DB) | EGIN0000756 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 53 compound |
| IUPAC Name | N-(3-bromophenyl)-7-chloro-6-nitroquinazolin-4-amine |
| Formula | C14H8BrClN4O2 |
| Mass | 379.596 |
| Exact Mass | 377.9519159 |
| Composition | C (44.3%), H (2.12%), Br (21.05%), Cl (9.34%), N (14.76%), O (8.43%) |
| Atom Count | 30 |
| PI | 8.86 |
| Smiles | c12c(cc(c(c1)N(=O)=O)Cl)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C14H8BrClN4O2/c15-8-2-1-3-9(4-8)19-14-10-5-13(20(21)22)11(16)6-12(10)17-7-18-14/h1-7H,(H,17,18,19
) |
| InChIKey | DKKLUAKZWKFXMH-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 | 8568816 |
| 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 |
5328219
|
| Drug Bank Link | - |
| ChemSpider Link | 4485384 |
| ChEMBL Link | CHEMBL66409 |
