| General Property |
| Molceule ID (DB) | EGIN0001308 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 15 compound |
| IUPAC Name | 5-[(1E)-(dimethylhydrazin-1-ylidene)methyl]-4-N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}pyrimidine-4,6-diamine |
| Formula | C21H21FN8 |
| Mass | 404.4434 |
| Exact Mass | 404.1873209 |
| Composition | C (62.36%), H (5.23%), F (4.7%), N (27.71%) |
| Atom Count | 51 |
| PI | 9.94 |
| Smiles | n1(c2c(cn1)cc(cc2)Nc1c(c(ncn1)N)/C=N/N(C)C)Cc1cc(ccc1)F |
| InChI | 1S/C21H21FN8/c1-29(2)26-11-18-20(23)24-13-25-21(18)28-17-6-7-19-15(9-17)10-27-30(19)12-14-4-3-5-16(2
2)8-14/h3-11,13H,12H2,1-2H3,(H3,23,24,25,28)/b26-11+ |
| InChIKey | BVBMTEPFJRTLEL-KBKYJPHKSA-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 | 18653333 |
| 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 |
24897043
|
| Drug Bank Link | - |
| ChemSpider Link | 24708922 |
| ChEMBL Link | CHEMBL497459 |
