| General Property |
| Molceule ID (DB) | EGIN0002045 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 14 compound |
| IUPAC Name | 4-N-(3-chloro-4-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 | 10.46 |
| Smiles | c1c(cc(c(c1)F)Cl)Nc1c2c([nH]c(c2)CCc2ccccc2)nc(N)n1 |
| InChI | 1S/C20H17ClFN5/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 | YQKMPOKWRHBWLE-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 | VEGFR1 | PDGFR beta | VEGFR2 | ALL |
| Pub Chem Link |
44586490
|
| Drug Bank Link | - |
| ChemSpider Link | 24710619 |
| ChEMBL Link | CHEMBL504416 |
