| General Property |
| Molceule ID (DB) | EGIN0000753 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 50 compound |
| IUPAC Name | 4-N-(3-bromophenyl)-7-N,7-N-dimethyl-6-nitroquinazoline-4,7-diamine |
| Formula | C16H14BrN5O2 |
| Mass | 388.219 |
| Exact Mass | 387.0330874 |
| Composition | C (49.5%), H (3.63%), Br (20.58%), N (18.04%), O (8.24%) |
| Atom Count | 38 |
| PI | 10.21 |
| Smiles | c12c(cc(c(c1)N(=O)=O)N(C)C)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C16H14BrN5O2/c1-21(2)14-8-13-12(7-15(14)22(23)24)16(19-9-18-13)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3
,(H,18,19,20) |
| InChIKey | GOUUCLJKCPCYMJ-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 |
5328216
|
| Drug Bank Link | - |
| ChemSpider Link | 4485381 |
| ChEMBL Link | CHEMBL93544 |
