| General Property |
| Molceule ID (DB) | EGIN0003252 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 1i compound |
| IUPAC Name | ethyl 4-{4-amino-7-phenyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzoate |
| Formula | C21H18N4O2 |
| Mass | 358.3932 |
| Exact Mass | 358.1429758 |
| Composition | C (70.38%), H (5.06%), N (15.63%), O (8.93%) |
| Atom Count | 45 |
| PI | No isoelectric point. |
| Smiles | n1cnc2c(c1N)c(cn2c1ccccc1)c1ccc(cc1)C(=O)OCC |
| InChI | 1S/C21H18N4O2/c1-2-27-21(26)15-10-8-14(9-11-15)17-12-25(16-6-4-3-5-7-16)20-18(17)19(22)23-13-24-20/h
3-13H,2H2,1H3,(H2,22,23,24) |
| InChIKey | KPNHRZBBKFZVMF-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 | 10853665 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | CDC2 | v-Abl | c-Src | Kdr | ALL |
| Pub Chem Link |
44384514
|
| Drug Bank Link | - |
| ChemSpider Link | 23239848 |
| ChEMBL Link | CHEMBL369014 |
