| General Property |
| Molceule ID (DB) | EGIN0004574 |
| Inhibitor Class | Purine |
| Molecule Name in Refrence Article | 2a |
| IUPAC Name | N-(3-{[5-(pyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy}phenyl)prop-2-enamide |
| Formula | C20H15N5O2 |
| Mass | 357.3654 |
| Exact Mass | 357.1225747 |
| Composition | C (67.22%), H (4.23%), N (19.6%), O (8.95%) |
| Atom Count | 42 |
| PI | 8.4 |
| Smiles | c1(cccc(c1)Oc1ncnc2c1c(c[nH]2)c1cccnc1)NC(=O)C=C |
| InChI | 1S/C20H15N5O2/c1-2-17(26)25-14-6-3-7-15(9-14)27-20-18-16(13-5-4-8-21-10-13)11-22-19(18)23-12-24-20/h
2-12H,1H2,(H,25,26)(H,22,23,24) |
| InChIKey | RXSINFFGHTYUKL-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 |
49820732
|
| Drug Bank Link | - |
| ChemSpider Link | 26380460 |
| ChEMBL Link | CHEMBL1643964 |
