| General Property |
| Molceule ID (DB) | EGIN0001311 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 18 compound |
| IUPAC Name | 4-N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}-5-[(E)-N-(4-methylpiperazin-1-yl)carboximidoyl]pyrimidine-4,6-diamine |
| Formula | C24H26FN9 |
| Mass | 459.5219 |
| Exact Mass | 459.2295201 |
| Composition | C (62.73%), H (5.7%), F (4.13%), N (27.43%) |
| Atom Count | 60 |
| PI | 11.17 |
| Smiles | n1(c2c(cn1)cc(cc2)Nc1c(c(ncn1)N)/C=N/N1CCN(CC1)C)Cc1cc(ccc1)F |
| InChI | 1S/C24H26FN9/c1-32-7-9-33(10-8-32)29-14-21-23(26)27-16-28-24(21)31-20-5-6-22-18(12-20)13-30-34(22)15
-17-3-2-4-19(25)11-17/h2-6,11-14,16H,7-10,15H2,1H3,(H3,26,27,28,31)/b29-14+ |
| InChIKey | BVWQZMQCRDRIMH-IPPBACCNSA-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 |
24897278
|
| Drug Bank Link | - |
| ChemSpider Link | 24707684 |
| ChEMBL Link | CHEMBL498134 |
