| General Property |
| Molceule ID (DB) | EGIN0001309 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 16 compound |
| IUPAC Name | 4-N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}-5-[(E)-N-(morpholin-4-yl)carboximidoyl]pyrimidine-4,6-diamine |
| Formula | C23H23FN8O |
| Mass | 446.4801 |
| Exact Mass | 446.1978856 |
| Composition | C (61.87%), H (5.19%), F (4.26%), N (25.1%), O (3.58%) |
| Atom Count | 56 |
| PI | 9.94 |
| Smiles | n1(c2c(cn1)cc(cc2)Nc1c(c(ncn1)N)/C=N/N1CCOCC1)Cc1cc(ccc1)F |
| InChI | 1S/C23H23FN8O/c24-18-3-1-2-16(10-18)14-32-21-5-4-19(11-17(21)12-29-32)30-23-20(22(25)26-15-27-23)13-
28-31-6-8-33-9-7-31/h1-5,10-13,15H,6-9,14H2,(H3,25,26,27,30)/b28-13+ |
| InChIKey | LTZADKANMDZUFP-XODNFHPESA-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 |
24897277
|
| Drug Bank Link | - |
| ChemSpider Link | 24709757 |
| ChEMBL Link | CHEMBL498133 |
