| General Property |
| Molceule ID (DB) | EGIN0004567 |
| Inhibitor Class | Purine |
| Molecule Name in Refrence Article | 2c |
| IUPAC Name | N-(3-{[5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy}phenyl)prop-2-enamide |
| Formula | C22H18N4O3 |
| Mass | 386.4033 |
| Exact Mass | 386.1378905 |
| Composition | C (68.38%), H (4.7%), N (14.5%), O (12.42%) |
| Atom Count | 47 |
| PI | 8.18 |
| Smiles | c1(cccc(c1)Oc1ncnc2c1c(c[nH]2)c1ccc(cc1)OC)NC(=O)C=C |
| InChI | 1S/C22H18N4O3/c1-3-19(27)26-15-5-4-6-17(11-15)29-22-20-18(12-23-21(20)24-13-25-22)14-7-9-16(28-2)10-
8-14/h3-13H,1H2,2H3,(H,26,27)(H,23,24,25) |
| InChIKey | QHHNSNKJCRLMJK-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 | 21208802 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
49820733
|
| Drug Bank Link | - |
| ChemSpider Link | 26377101 |
| ChEMBL Link | CHEMBL1643966 |
