| General Property |
| Molceule ID (DB) | EGIN0000754 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 51 compound |
| IUPAC Name | 4-N-(3-bromophenyl)-7-N-ethyl-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 | 9.87 |
| Smiles | c12c(cc(c(c1)N(=O)=O)NCC)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C16H14BrN5O2/c1-2-18-14-8-13-12(7-15(14)22(23)24)16(20-9-19-13)21-11-5-3-4-10(17)6-11/h3-9,18H,2H
2,1H3,(H,19,20,21) |
| InChIKey | ZZVUKMBWGBBAMP-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 |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL93734 |
