| General Property |
| Molceule ID (DB) | EGIN0002041 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 10 compound |
| IUPAC Name | 4-N-(3-bromophenyl)-6-[2-(2-chlorophenyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| Formula | C20H17BrClN5 |
| Mass | 442.739 |
| Exact Mass | 441.0355859 |
| Composition | C (54.26%), H (3.87%), Br (18.05%), Cl (8.01%), N (15.82%) |
| Atom Count | 44 |
| PI | 10.45 |
| Smiles | c1c(cc(cc1)Br)Nc1c2c([nH]c(c2)CCc2c(cccc2)Cl)nc(N)n1 |
| InChI | 1S/C20H17BrClN5/c21-13-5-3-6-14(10-13)24-18-16-11-15(25-19(16)27-20(23)26-18)9-8-12-4-1-2-7-17(12)22
/h1-7,10-11H,8-9H2,(H4,23,24,25,26,27) |
| InChIKey | ZFOINLDOMHQFOQ-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 | VEGFR2 | ALL |
| Pub Chem Link |
44586451
|
| Drug Bank Link | - |
| ChemSpider Link | 24700017 |
| ChEMBL Link | CHEMBL482489 |
