| General Property |
| Molceule ID (DB) | EGIN0002042 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 11 compound |
| IUPAC Name | 4-N-(3-bromophenyl)-6-[2-(naphthalen-1-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| Formula | C24H20BrN5 |
| Mass | 458.353 |
| Exact Mass | 457.0902083 |
| Composition | C (62.89%), H (4.4%), Br (17.43%), N (15.28%) |
| Atom Count | 50 |
| PI | 10.46 |
| Smiles | c1c(cc(cc1)Br)Nc1c2c([nH]c(c2)CCc2cccc3c2cccc3)nc(N)n1 |
| InChI | 1S/C24H20BrN5/c25-17-8-4-9-18(13-17)27-22-21-14-19(28-23(21)30-24(26)29-22)12-11-16-7-3-6-15-5-1-2-1
0-20(15)16/h1-10,13-14H,11-12H2,(H4,26,27,28,29,30) |
| InChIKey | QMVUXJFOCASEQU-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 | VEGFR1 | ALL |
| Pub Chem Link |
10389422
|
| Drug Bank Link | - |
| ChemSpider Link | 8564864 |
| ChEMBL Link | CHEMBL484108 |
