| General Property |
| Molceule ID (DB) | EGIN0001116 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 31 Compound |
| IUPAC Name | 4-N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}-5-[(1E)-(hydroxyimino)methyl]pyrimidine-4,6-diamine |
| Formula | C19H16FN7O |
| Mass | 377.375 |
| Exact Mass | 377.1400364 |
| Composition | C (60.47%), H (4.27%), F (5.03%), N (25.98%), O (4.24%) |
| Atom Count | 44 |
| PI | 7.47 |
| Smiles | c1cc(cc2c1n(nc2)Cc1cccc(c1)F)Nc1ncnc(c1/C=N/O)N |
| InChI | 1S/C19H16FN7O/c20-14-3-1-2-12(6-14)10-27-17-5-4-15(7-13(17)8-24-27)26-19-16(9-25-28)18(21)22-11-23-1
9/h1-9,11,28H,10H2,(H3,21,22,23,26)/b25-9+ |
| InChIKey | JFOADMWQXWRMGB-YCPBAFNGSA-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 |
17747415
|
| Drug Bank Link | - |
| ChemSpider Link | 23315407 |
| ChEMBL Link | CHEMBL256295 |
