| General Property |
| Molceule ID (DB) | EGIN0002047 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 16 compound |
| IUPAC Name | 4-N-(3-ethynylphenyl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| Formula | C22H19N5 |
| Mass | 353.4198 |
| Exact Mass | 353.1640456 |
| Composition | C (74.77%), H (5.42%), N (19.82%) |
| Atom Count | 46 |
| PI | 10.46 |
| Smiles | n1c(nc2c(c1Nc1cc(ccc1)C#C)cc([nH]2)CCc1ccccc1)N |
| InChI | 1S/C22H19N5/c1-2-15-9-6-10-17(13-15)24-20-19-14-18(25-21(19)27-22(23)26-20)12-11-16-7-4-3-5-8-16/h1,
3-10,13-14H,11-12H2,(H4,23,24,25,26,27) |
| InChIKey | MSQHAWRUZQTEEW-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 | VEGFR2 | PDGFR beta | ALL |
| Pub Chem Link |
44586526
|
| Drug Bank Link | - |
| ChemSpider Link | 24717630 |
| ChEMBL Link | CHEMBL520803 |
