| General Property |
| Molceule ID (DB) | EGIN0002046 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 15 compound |
| IUPAC Name | 6-(2-phenylethyl)-4-N-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| Formula | C21H18F3N5 |
| Mass | 397.3963 |
| Exact Mass | 397.1514302 |
| Composition | C (63.47%), H (4.57%), F (14.34%), N (17.62%) |
| Atom Count | 47 |
| PI | 10.46 |
| Smiles | n1c(nc2c(c1Nc1cc(ccc1)C(F)(F)F)cc([nH]2)CCc1ccccc1)N |
| InChI | 1S/C21H18F3N5/c22-21(23,24)14-7-4-8-15(11-14)26-18-17-12-16(27-19(17)29-20(25)28-18)10-9-13-5-2-1-3-
6-13/h1-8,11-12H,9-10H2,(H4,25,26,27,28,29) |
| InChIKey | NVASTOUZGCQGCD-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 |
25022736
|
| Drug Bank Link | - |
| ChemSpider Link | 24699941 |
| ChEMBL Link | CHEMBL483312 |
