| General Property |
| Molceule ID (DB) | EGIN0002428 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | 6-[(2,4-dichlorophenyl)methyl]-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| Formula | C20H13Cl2F4N5 |
| Mass | 470.25 |
| Exact Mass | 469.0484137 |
| Composition | C (51.08%), H (2.79%), Cl (15.08%), F (16.16%), N (14.89%) |
| Atom Count | 44 |
| PI | 10.23 |
| Smiles | c1(nc2c(c(n1)Nc1cc(c(cc1)C(F)(F)F)F)cc([nH]2)Cc1ccc(cc1Cl)Cl)N |
| InChI | 1S/C20H13Cl2F4N5/c21-10-2-1-9(15(22)6-10)5-12-7-13-17(30-19(27)31-18(13)29-12)28-11-3-4-14(16(23)8-1
1)20(24,25)26/h1-4,6-8H,5H2,(H4,27,28,29,30,31) |
| InChIKey | AGRZDXRWPOUZPR-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 | 20403700 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | PDGFR beta | VEGFR1 | VEGFR2 | ALL |
| Pub Chem Link |
46886974
|
| Drug Bank Link | - |
| ChemSpider Link | 24669905 |
| ChEMBL Link | CHEMBL1094808 |
