| General Property |
| Molceule ID (DB) | EGIN0000265 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 2h compound |
| IUPAC Name | 2-{5-[(3-bromophenyl)amino]-1H-pyrazolo[4,3-g]quinazolin-1-yl}acetic acid |
| Formula | C17H12BrN5O2 |
| Mass | 398.213 |
| Exact Mass | 397.0174373 |
| Composition | C (51.27%), H (3.04%), Br (20.07%), N (17.59%), O (8.04%) |
| Atom Count | 37 |
| PI | 3.71 |
| Smiles | c12c(cc3c(c1)cnn3CC(=O)O)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C17H12BrN5O2/c18-11-2-1-3-12(5-11)22-17-13-4-10-7-21-23(8-16(24)25)15(10)6-14(13)19-9-20-17/h1-7,
9H,8H2,(H,24,25)(H,19,20,22) |
| InChIKey | CFJDWNWGKOBXBC-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 | 9154973 |
| 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 |
5328284
|
| Drug Bank Link | - |
| ChemSpider Link | 4485449 |
| ChEMBL Link | CHEMBL36819 |
