| General Property |
| Molceule ID (DB) | EGIN0000983 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 17 compound |
| IUPAC Name | 5,6-dimethyl-N-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| Formula | C15H13F3N4 |
| Mass | 306.2857 |
| Exact Mass | 306.1092311 |
| Composition | C (58.82%), H (4.28%), F (18.61%), N (18.29%) |
| Atom Count | 35 |
| PI | 10.44 |
| Smiles | n1cnc2c(c1Nc1cc(ccc1)C(F)(F)F)c(c([nH]2)C)C |
| InChI | 1S/C15H13F3N4/c1-8-9(2)21-13-12(8)14(20-7-19-13)22-11-5-3-4-10(6-11)15(16,17)18/h3-7H,1-2H3,(H2,19,2
0,21,22) |
| InChIKey | DIOHUOGBSVXUTJ-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 | 8691423 |
| 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 |
13492280
|
| Drug Bank Link | - |
| ChemSpider Link | 10534091 |
| ChEMBL Link | CHEMBL306029 |
