| General Property |
| Molceule ID (DB) | EGIN0004714 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 21 |
| IUPAC Name | N-{2-[(4-amino-6-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}pyrimidin-5-yl)formamido]ethyl}prop-2-enamide |
| Formula | C22H22ClN7O3 |
| Mass | 467.908 |
| Exact Mass | 467.1472653 |
| Composition | C (56.47%), H (4.74%), Cl (7.58%), N (20.95%), O (10.26%) |
| Atom Count | 55 |
| PI | 9.25 |
| Smiles | c1(c(c(ncn1)N)C(=O)NCCNC(=O)C=C)Nc1ccc(c(c1)Cl)OCc1ccccn1 |
| InChI | 1S/C22H22ClN7O3/c1-2-18(31)26-9-10-27-22(32)19-20(24)28-13-29-21(19)30-14-6-7-17(16(23)11-14)33-12-1
5-5-3-4-8-25-15/h2-8,11,13H,1,9-10,12H2,(H,26,31)(H,27,32)(H3,24,28,29,30) |
| InChIKey | KBDHDXAAHCMNHX-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 | 22372864 |
| 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 |
57342205
|
| Drug Bank Link | - |
| ChemSpider Link | 28520301 |
| ChEMBL Link | - |
