| General Property |
| Molceule ID (DB) | EGIN0001119 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 34 Compound |
| IUPAC Name | 4-N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}-5-[(1E)-[(propan-2-yloxy)imino]methyl]pyrimidine-4,6-diamine |
| Formula | C22H22FN7O |
| Mass | 419.4548 |
| Exact Mass | 419.1869866 |
| Composition | C (62.99%), H (5.29%), F (4.53%), N (23.37%), O (3.81%) |
| Atom Count | 53 |
| PI | 10.28 |
| Smiles | c1cc(cc2c1n(nc2)Cc1cccc(c1)F)Nc1ncnc(c1/C=N/OC(C)C)N |
| InChI | 1S/C22H22FN7O/c1-14(2)31-28-11-19-21(24)25-13-26-22(19)29-18-6-7-20-16(9-18)10-27-30(20)12-15-4-3-5-
17(23)8-15/h3-11,13-14H,12H2,1-2H3,(H3,24,25,26,29)/b28-11+ |
| InChIKey | VBFBOJPZZPXTID-IPBVOBEMSA-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 |
17747281
|
| Drug Bank Link | - |
| ChemSpider Link | 23315362 |
| ChEMBL Link | CHEMBL402293 |
