| General Property |
| Molceule ID (DB) | EGIN0001313 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 20 compound |
| IUPAC Name | 4-N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}-5-[(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]carboximidoyl]pyrimidine-4,6-diamine |
| Formula | C25H27FN8O |
| Mass | 474.5333 |
| Exact Mass | 474.2291857 |
| Composition | C (63.28%), H (5.73%), F (4%), N (23.61%), O (3.37%) |
| Atom Count | 62 |
| PI | 9.94 |
| Smiles | n1(c2c(cn1)cc(cc2)Nc1c(c(ncn1)N)/C=N/N1CCC[C@H]1COC)Cc1cc(ccc1)F |
| InChI | 1S/C25H27FN8O/c1-35-15-21-6-3-9-33(21)31-13-22-24(27)28-16-29-25(22)32-20-7-8-23-18(11-20)12-30-34(2
3)14-17-4-2-5-19(26)10-17/h2,4-5,7-8,10-13,16,21H,3,6,9,14-15H2,1H3,(H3,27,28,29,32)/b31-13+/t21-/m0
/s1 |
| InChIKey | ITVLSWHERKANSP-KANZSPMSSA-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 |
24897280
|
| Drug Bank Link | - |
| ChemSpider Link | 24689557 |
| ChEMBL Link | CHEMBL456758 |
