| General Property |
| Molceule ID (DB) | EGIN0002413 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 23 compound |
| IUPAC Name | N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| Formula | C21H16F4N4 |
| Mass | 400.3722 |
| Exact Mass | 400.1311094 |
| Composition | C (63%), H (4.03%), F (18.98%), N (13.99%) |
| Atom Count | 45 |
| PI | 10 |
| Smiles | n1cnc2c(c1Nc1cc(c(cc1)F)C(F)(F)F)cc([nH]2)CCc1ccccc1 |
| InChI | 1S/C21H16F4N4/c22-18-9-8-15(11-17(18)21(23,24)25)29-20-16-10-14(28-19(16)26-12-27-20)7-6-13-4-2-1-3-
5-13/h1-5,8-12H,6-7H2,(H2,26,27,28,29) |
| InChIKey | XYZHMUBWCKVNFD-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 | 20403693 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | PDGFR beta | VEGFR1 | VEGFR2 | ALL |
| Pub Chem Link |
46887348
|
| Drug Bank Link | - |
| ChemSpider Link | 24671727 |
| ChEMBL Link | CHEMBL1096415 |
