| General Property |
| Molceule ID (DB) | EGIN0001097 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 13 Compound |
| IUPAC Name | 4-N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}-5-[(1E)-(methoxyimino)methyl]pyrimidine-4,6-diamine |
| Formula | C20H18FN7O |
| Mass | 391.4016 |
| Exact Mass | 391.1556864 |
| Composition | C (61.37%), H (4.64%), F (4.85%), N (25.05%), O (4.09%) |
| Atom Count | 47 |
| PI | 10.29 |
| Smiles | n1(c2c(cn1)cc(cc2)Nc1c(c(ncn1)N)/C=N/OC)Cc1cc(ccc1)F |
| InChI | 1S/C20H18FN7O/c1-29-26-10-17-19(22)23-12-24-20(17)27-16-5-6-18-14(8-16)9-25-28(18)11-13-3-2-4-15(21)
7-13/h2-10,12H,11H2,1H3,(H3,22,23,24,27)/b26-10+ |
| InChIKey | FIENMRUUADTWJC-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 | 18508264 | 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 |
17747105
|
| Drug Bank Link | - |
| ChemSpider Link | 23315597 |
| ChEMBL Link | CHEMBL255871 |
