| General Property |
| Molceule ID (DB) | EGIN0002426 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 11 compound |
| IUPAC Name | 6-[(2,4-dichlorophenyl)methyl]-4-N-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| Formula | C20H14Cl2F3N5 |
| Mass | 452.26 |
| Exact Mass | 451.0578355 |
| Composition | C (53.11%), H (3.12%), Cl (15.68%), F (12.6%), N (15.49%) |
| Atom Count | 44 |
| PI | 10.23 |
| Smiles | c1(nc2c(c(n1)Nc1cc(ccc1)C(F)(F)F)cc([nH]2)Cc1ccc(cc1Cl)Cl)N |
| InChI | 1S/C20H14Cl2F3N5/c21-12-5-4-10(16(22)8-12)6-14-9-15-17(29-19(26)30-18(15)28-14)27-13-3-1-2-11(7-13)2
0(23,24)25/h1-5,7-9H,6H2,(H4,26,27,28,29,30) |
| InChIKey | ATDJLDZCOSGBPH-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 | VEGFR2 | ALL |
| Pub Chem Link |
46886972
|
| Drug Bank Link | - |
| ChemSpider Link | 24670813 |
| ChEMBL Link | CHEMBL1095445 |
