| General Property |
| Molceule ID (DB) | EGIN0001122 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 37 Compound |
| IUPAC Name | 4-N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}-5-[(1E)-[(2-methoxyethoxy)imino]methyl]pyrimidine-4,6-diamine |
| Formula | C22H22FN7O2 |
| Mass | 435.4542 |
| Exact Mass | 435.1819012 |
| Composition | C (60.68%), H (5.09%), F (4.36%), N (22.52%), O (7.35%) |
| Atom Count | 54 |
| PI | 10.28 |
| Smiles | c1(cc(ccc1)F)Cn1c2ccc(cc2cn1)Nc1ncnc(N)c1/C=N/OCCOC |
| InChI | 1S/C22H22FN7O2/c1-31-7-8-32-28-12-19-21(24)25-14-26-22(19)29-18-5-6-20-16(10-18)11-27-30(20)13-15-3-
2-4-17(23)9-15/h2-6,9-12,14H,7-8,13H2,1H3,(H3,24,25,26,29)/b28-12+ |
| InChIKey | KSGYKTRNRCPDHT-KVSWJAHQSA-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 |
17747343
|
| Drug Bank Link | - |
| ChemSpider Link | 22378036 |
| ChEMBL Link | CHEMBL255237 |
