| General Property |
| Molceule ID (DB) | EGIN0001118 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 33 Compound |
| IUPAC Name | 4-N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}-5-[(1E)-[(2-methylpropoxy)imino]methyl]pyrimidine-4,6-diamine |
| Formula | C23H24FN7O |
| Mass | 433.4814 |
| Exact Mass | 433.2026366 |
| Composition | C (63.73%), H (5.58%), F (4.38%), N (22.62%), O (3.69%) |
| Atom Count | 56 |
| PI | 10.29 |
| Smiles | c1cc(cc2c1n(nc2)Cc1cccc(c1)F)Nc1ncnc(c1/C=N/OCC(C)C)N |
| InChI | 1S/C23H24FN7O/c1-15(2)13-32-29-11-20-22(25)26-14-27-23(20)30-19-6-7-21-17(9-19)10-28-31(21)12-16-4-3
-5-18(24)8-16/h3-11,14-15H,12-13H2,1-2H3,(H3,25,26,27,30)/b29-11+ |
| InChIKey | FZRBAMDZJYDNRB-VPUKRXIYSA-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 |
17747208
|
| Drug Bank Link | - |
| ChemSpider Link | 23315361 |
| ChEMBL Link | CHEMBL430031 |
