| General Property |
| Molceule ID (DB) | EGIN0003161 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 1 compound |
| IUPAC Name | N-{3-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-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 | 9.1 |
| Smiles | O=C(C1CC1)Nc1cc(ccc1)Nc1nccc(n1)Nc1cc(C(F)(F)F)ccc1 |
| InChI | 1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(11-14)26-18-9-10-25-20(29-18)28-17-6-2-5-16(12-17)27-19(30)1
3-7-8-13/h1-6,9-13H,7-8H2,(H,27,30)(H2,25,26,28,29) |
| InChIKey | RDTDWGQDFJPTPD-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 |
9549303
|
| Drug Bank Link | - |
| ChemSpider Link | 7828219 |
| ChEMBL Link | CHEMBL383899 |
