| General Property |
| Molceule ID (DB) | EGIN0000273 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3h compound |
| IUPAC Name | 2-{4-[(3-bromophenyl)amino]-8H-pyrrolo[3,2-g]quinazolin-8-yl}acetic acid |
| Formula | C18H13BrN4O2 |
| Mass | 397.225 |
| Exact Mass | 396.0221883 |
| Composition | C (54.43%), H (3.3%), Br (20.12%), N (14.1%), O (8.06%) |
| Atom Count | 38 |
| PI | 3.96 |
| Smiles | c12c(cc3c(c1)ccn3CC(=O)O)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C18H13BrN4O2/c19-12-2-1-3-13(7-12)22-18-14-6-11-4-5-23(9-17(24)25)16(11)8-15(14)20-10-21-18/h1-8,
10H,9H2,(H,24,25)(H,20,21,22) |
| InChIKey | CBFIWURGLMUIDN-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 |
5328291
|
| Drug Bank Link | - |
| ChemSpider Link | 4485456 |
| ChEMBL Link | CHEMBL289162 |
