| General Property |
| Molceule ID (DB) | EGIN0001305 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 12 compound |
| IUPAC Name | 4-N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}-5-[(1E)-(2-methylhydrazin-1-ylidene)methyl]pyrimidine-4,6-diamine |
| Formula | C20H19FN8 |
| Mass | 390.4169 |
| Exact Mass | 390.1716709 |
| Composition | C (61.53%), H (4.91%), F (4.87%), N (28.7%) |
| Atom Count | 48 |
| PI | 9.53 |
| Smiles | n1(c2c(cn1)cc(cc2)Nc1c(c(ncn1)N)/C=N/NC)Cc1cc(ccc1)F |
| InChI | 1S/C20H19FN8/c1-23-26-10-17-19(22)24-12-25-20(17)28-16-5-6-18-14(8-16)9-27-29(18)11-13-3-2-4-15(21)7
-13/h2-10,12,23H,11H2,1H3,(H3,22,24,25,28)/b26-10+ |
| InChIKey | ONVVZBADBZXLMG-NSKAYECMSA-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 |
24897045
|
| Drug Bank Link | - |
| ChemSpider Link | 24707965 |
| ChEMBL Link | CHEMBL497697 |
