| General Property |
| Molceule ID (DB) | EGIN0002048 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 17 compound |
| IUPAC Name | 4-N-(4-chloro-2-fluorophenyl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| Formula | C20H17ClFN5 |
| Mass | 381.834 |
| Exact Mass | 381.1156515 |
| Composition | C (62.91%), H (4.49%), Cl (9.28%), F (4.98%), N (18.34%) |
| Atom Count | 44 |
| PI | 9.87 |
| Smiles | n1c(nc2c(c1Nc1c(cc(cc1)Cl)F)cc([nH]2)CCc1ccccc1)N |
| InChI | 1S/C20H17ClFN5/c21-13-7-9-17(16(22)10-13)25-19-15-11-14(24-18(15)26-20(23)27-19)8-6-12-4-2-1-3-5-12/
h1-5,7,9-11H,6,8H2,(H4,23,24,25,26,27) |
| InChIKey | KJOGVLRVAKVBOJ-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 |
44586527
|
| Drug Bank Link | - |
| ChemSpider Link | 24700049 |
| ChEMBL Link | CHEMBL483313 |
