| General Property |
| Molceule ID (DB) | EGIN0003163 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3 compound |
| IUPAC Name | N-{3-[(6-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}cyclopropanecarboxamide |
| Formula | C21H18F3N5O |
| Mass | 413.3957 |
| Exact Mass | 413.1463448 |
| Composition | C (61.01%), H (4.39%), F (13.79%), N (16.94%), O (3.87%) |
| Atom Count | 48 |
| PI | 9.52 |
| Smiles | C(c1cc(Nc2ncnc(c2)Nc2cc(NC(=O)C3CC3)ccc2)ccc1)(F)(F)F |
| InChI | 1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(9-14)27-18-11-19(26-12-25-18)28-16-5-2-6-17(10-16)29-20(30)1
3-7-8-13/h1-6,9-13H,7-8H2,(H,29,30)(H2,25,26,27,28) |
| InChIKey | YOHYSYJDKVYCJI-UHFFFAOYSA-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 | 17157005 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | AIKA | |
| Pub Chem Link |
9549299
|
| Drug Bank Link | - |
| ChemSpider Link | 7828215 |
| ChEMBL Link | CHEMBL387187 |
