| General Property |
| Molceule ID (DB) | EGIN0002050 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 19 compound |
| IUPAC Name | 4-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| Formula | C21H17F4N5 |
| Mass | 415.3868 |
| Exact Mass | 415.1420084 |
| Composition | C (60.72%), H (4.13%), F (18.29%), N (16.86%) |
| Atom Count | 47 |
| PI | 10.46 |
| Smiles | n1c(nc2c(c1Nc1cc(c(cc1)F)C(F)(F)F)cc([nH]2)CCc1ccccc1)N |
| InChI | 1S/C21H17F4N5/c22-17-9-8-14(11-16(17)21(23,24)25)28-19-15-10-13(27-18(15)29-20(26)30-19)7-6-12-4-2-1
-3-5-12/h1-5,8-11H,6-7H2,(H4,26,27,28,29,30) |
| InChIKey | DZLMUJLCCUJDSO-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 | 18467105 | 20403693 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | VEGFR1 | VEGFR2 | PDGFR beta | ALL |
| Pub Chem Link |
25022735
|
| Drug Bank Link | - |
| ChemSpider Link | 24700934 |
| ChEMBL Link | CHEMBL482715 |
