| General Property |
| Molceule ID (DB) | EGIN0000639 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | GW5289 |
| IUPAC Name | 2-carboximidoyl-1-N-[(3-fluorophenyl)methyl]-4-N-[6-(5-methyl-1,3,4-oxadiazol-2-yl)quinazolin-4-yl]benzene-1,4-diamine |
| Formula | C25H20FN7O |
| Mass | 453.471 |
| Exact Mass | 453.1713365 |
| Composition | C (66.22%), H (4.45%), F (4.19%), N (21.62%), O (3.53%) |
| Atom Count | 54 |
| PI | 12.55 |
| Smiles | c12c(ccc(c1)c1oc(nn1)C)ncnc2Nc1ccc(c(c1)C=N)NCc1cccc(c1)F |
| InChI | 1S/C25H20FN7O/c1-15-32-33-25(34-15)17-5-7-23-21(11-17)24(30-14-29-23)31-20-6-8-22(18(10-20)12-27)28-
13-16-3-2-4-19(26)9-16/h2-12,14,27-28H,13H2,1H3,(H,29,30,31)/b27-12+ |
| InChIKey | LASKHDFLVOFQAK-KKMKTNMSSA-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 | 11585755 |
| 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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
