| General Property |
| Molceule ID (DB) | EGIN0002044 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | 4-N-(3-bromo-4-fluorophenyl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| Formula | C20H17BrFN5 |
| Mass | 426.285 |
| Exact Mass | 425.0651364 |
| Composition | C (56.35%), H (4.02%), Br (18.74%), F (4.46%), N (16.43%) |
| Atom Count | 44 |
| PI | 10.46 |
| Smiles | n1c(nc2c(c1Nc1cc(c(cc1)F)Br)cc([nH]2)CCc1ccccc1)N |
| InChI | 1S/C20H17BrFN5/c21-16-11-14(8-9-17(16)22)25-19-15-10-13(24-18(15)26-20(23)27-19)7-6-12-4-2-1-3-5-12/
h1-5,8-11H,6-7H2,(H4,23,24,25,26,27) |
| InChIKey | JIKRLFBUNSLPFP-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 | 20403693 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | VEGFR1 | PDGFR beta | VEGFR2 | ALL |
| Pub Chem Link |
10251852
|
| Drug Bank Link | - |
| ChemSpider Link | 8427338 |
| ChEMBL Link | CHEMBL483108 |
