| General Property |
| Molceule ID (DB) | EGIN0000752 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 49 compound |
| IUPAC Name | 4-N-(3-bromophenyl)-7-N-methyl-6-nitroquinazoline-4,7-diamine |
| Formula | C15H12BrN5O2 |
| Mass | 374.192 |
| Exact Mass | 373.0174373 |
| Composition | C (48.15%), H (3.23%), Br (21.35%), N (18.72%), O (8.55%) |
| Atom Count | 35 |
| PI | 10.02 |
| Smiles | c12c(cc(c(c1)N(=O)=O)NC)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C15H12BrN5O2/c1-17-13-7-12-11(6-14(13)21(22)23)15(19-8-18-12)20-10-4-2-3-9(16)5-10/h2-8,17H,1H3,(
H,18,19,20) |
| InChIKey | SIBSADYFORJTDQ-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 |
5328215
|
| Drug Bank Link | - |
| ChemSpider Link | 4485380 |
| ChEMBL Link | CHEMBL92936 |
