| General Property |
| Molceule ID (DB) | EGIN0001306 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | 4-N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}-5-[(1E)-[2-(2,2,2-trifluoroethyl)hydrazin-1-ylidene]methyl]pyrimidine-4,6-diamine |
| Formula | C21H18F4N8 |
| Mass | 458.4148 |
| Exact Mass | 458.1590554 |
| Composition | C (55.02%), H (3.96%), F (16.58%), N (24.44%) |
| Atom Count | 51 |
| PI | 9.53 |
| Smiles | n1(c2c(cn1)cc(cc2)Nc1c(c(ncn1)N)/C=N/NCC(F)(F)F)Cc1cc(ccc1)F |
| InChI | 1S/C21H18F4N8/c22-15-3-1-2-13(6-15)10-33-18-5-4-16(7-14(18)8-31-33)32-20-17(19(26)27-12-28-20)9-29-3
0-11-21(23,24)25/h1-9,12,30H,10-11H2,(H3,26,27,28,32)/b29-9+ |
| InChIKey | KVQIKILPEUOSQA-GESPGMLMSA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 24708788 |
| ChEMBL Link | CHEMBL497863 |
