| General Property |
| Molceule ID (DB) | EGIN0001310 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 17 compound |
| IUPAC Name | 4-N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}-5-[(E)-N-(piperidin-1-yl)carboximidoyl]pyrimidine-4,6-diamine |
| Formula | C24H25FN8 |
| Mass | 444.5073 |
| Exact Mass | 444.218621 |
| Composition | C (64.85%), H (5.67%), F (4.27%), N (25.21%) |
| Atom Count | 58 |
| PI | 9.94 |
| Smiles | n1(c2c(cn1)cc(cc2)Nc1c(c(ncn1)N)/C=N/N1CCCCC1)Cc1cc(ccc1)F |
| InChI | 1S/C24H25FN8/c25-19-6-4-5-17(11-19)15-33-22-8-7-20(12-18(22)13-30-33)31-24-21(23(26)27-16-28-24)14-2
9-32-9-2-1-3-10-32/h4-8,11-14,16H,1-3,9-10,15H2,(H3,26,27,28,31)/b29-14+ |
| InChIKey | RCUSFXIASRCUQJ-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 |
24897276
|
| Drug Bank Link | - |
| ChemSpider Link | 24720373 |
| ChEMBL Link | CHEMBL524457 |
