| General Property |
| Molceule ID (DB) | EGIN0003477 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 16 compound |
| IUPAC Name | 6-[(2E)-3-benzyltriaz-2-en-1-yl]-N-(3-bromophenyl)quinazolin-4-amine |
| Formula | C21H17BrN6 |
| Mass | 433.304 |
| Exact Mass | 432.0698072 |
| Composition | C (58.21%), H (3.95%), Br (18.44%), N (19.4%) |
| Atom Count | 45 |
| PI | 10.19 |
| Smiles | c1(c2c(ncn1)ccc(N/N=N/Cc1ccccc1)c2)Nc1cc(Br)ccc1 |
| InChI | 1S/C21H17BrN6/c22-16-7-4-8-17(11-16)26-21-19-12-18(9-10-20(19)23-14-24-21)27-28-25-13-15-5-2-1-3-6-1
5/h1-12,14H,13H2,(H,25,27)(H,23,24,26) |
| InChIKey | IEJGXNCMVRIUTE-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 | 13678409 |
| 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 |
11080556
|
| Drug Bank Link | - |
| ChemSpider Link | 9255705 |
| ChEMBL Link | CHEMBL424093 |
