| General Property |
| Molceule ID (DB) | EGIN0002051 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 20 compound |
| IUPAC Name | 4-N-(1H-indol-5-yl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| Formula | C22H20N6 |
| Mass | 368.4344 |
| Exact Mass | 368.1749447 |
| Composition | C (71.72%), H (5.47%), N (22.81%) |
| Atom Count | 48 |
| PI | 10.46 |
| Smiles | n1c(nc2c(c1Nc1cc3c(cc1)[nH]cc3)cc([nH]2)CCc1ccccc1)N |
| InChI | 1S/C22H20N6/c23-22-27-20(25-16-8-9-19-15(12-16)10-11-24-19)18-13-17(26-21(18)28-22)7-6-14-4-2-1-3-5-
14/h1-5,8-13,24H,6-7H2,(H4,23,25,26,27,28) |
| InChIKey | FIHNNYNOPNUKJK-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 |
44586577
|
| Drug Bank Link | - |
| ChemSpider Link | 24708842 |
| ChEMBL Link | CHEMBL499067 |
