| General Property |
| Molceule ID (DB) | EGIN0001120 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 35 Compound |
| IUPAC Name | 5-[(1E)-[(benzyloxy)imino]methyl]-4-N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}pyrimidine-4,6-diamine |
| Formula | C26H22FN7O |
| Mass | 467.4976 |
| Exact Mass | 467.1869866 |
| Composition | C (66.8%), H (4.74%), F (4.06%), N (20.97%), O (3.42%) |
| Atom Count | 57 |
| PI | 10.28 |
| Smiles | c1cc(cc2c1n(nc2)Cc1cccc(c1)F)Nc1ncnc(c1/C=N/OCc1ccccc1)N |
| InChI | 1S/C26H22FN7O/c27-21-8-4-7-19(11-21)15-34-24-10-9-22(12-20(24)13-31-34)33-26-23(25(28)29-17-30-26)14
-32-35-16-18-5-2-1-3-6-18/h1-14,17H,15-16H2,(H3,28,29,30,33)/b32-14+ |
| InChIKey | KWGOTWZNNOUINW-HIWRWHBISA-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 | 18508264 |
| 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 |
17747280
|
| Drug Bank Link | - |
| ChemSpider Link | 23315327 |
| ChEMBL Link | CHEMBL255438 |
