| General Property |
| Molceule ID (DB) | EGIN0000279 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 9 compound |
| IUPAC Name | 2-[({4-[(3-bromophenyl)amino]-8H-pyrrolo[3,2-g]quinazolin-6-yl}methyl)(methyl)amino]acetic acid |
| Formula | C20H18BrN5O2 |
| Mass | 440.293 |
| Exact Mass | 439.0643875 |
| Composition | C (54.56%), H (4.12%), Br (18.15%), N (15.91%), O (7.27%) |
| Atom Count | 46 |
| PI | 6.58 |
| Smiles | c12c(cc3c(c1)c(c[nH]3)CN(C)CC(=O)O)ncnc2Nc1cccc(c1)Br |
| InChI | 1S/C20H18BrN5O2/c1-26(10-19(27)28)9-12-8-22-17-7-18-16(6-15(12)17)20(24-11-23-18)25-14-4-2-3-13(21)5
-14/h2-8,11,22H,9-10H2,1H3,(H,27,28)(H,23,24,25) |
| InChIKey | DBSQOKFNDAENBI-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 |
5328297
|
| Drug Bank Link | - |
| ChemSpider Link | 4485462 |
| ChEMBL Link | CHEMBL289213 |
