| General Property |
| Molceule ID (DB) | EGIN0002040 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 9 compound |
| IUPAC Name | 4-N-(3-bromophenyl)-6-[2-(4-methoxyphenyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| Formula | C21H20BrN5O |
| Mass | 438.32 |
| Exact Mass | 437.0851229 |
| Composition | C (57.54%), H (4.6%), Br (18.23%), N (15.98%), O (3.65%) |
| Atom Count | 48 |
| PI | 10.46 |
| Smiles | c1(nc(nc2c1cc([nH]2)CCc1ccc(cc1)OC)N)Nc1cc(ccc1)Br |
| InChI | 1S/C21H20BrN5O/c1-28-17-9-6-13(7-10-17)5-8-16-12-18-19(26-21(23)27-20(18)25-16)24-15-4-2-3-14(22)11-
15/h2-4,6-7,9-12H,5,8H2,1H3,(H4,23,24,25,26,27) |
| InChIKey | DDJCWGVPCKUJIU-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 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | PDGFR beta | VEGFR2 | VEGFR1 | ALL |
| Pub Chem Link |
44586450
|
| Drug Bank Link | - |
| ChemSpider Link | 24703098 |
| ChEMBL Link | CHEMBL485321 |
