| General Property |
| Molceule ID (DB) | EGIN0004647 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 10a |
| IUPAC Name | N-[3-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}pyrimidin-5-yl)prop-2-yn-1-yl]prop-2-enamide |
| Formula | C22H18ClN5O2 |
| Mass | 419.864 |
| Exact Mass | 419.1149026 |
| Composition | C (62.93%), H (4.32%), Cl (8.44%), N (16.68%), O (7.62%) |
| Atom Count | 48 |
| PI | 9.04 |
| Smiles | c1(c(cncn1)C#CCNC(=O)C=C)Nc1ccc(c(c1)Cl)OCc1ccccn1 |
| InChI | 1S/C22H18ClN5O2/c1-2-21(29)26-11-5-6-16-13-24-15-27-22(16)28-17-8-9-20(19(23)12-17)30-14-18-7-3-4-10
-25-18/h2-4,7-10,12-13,15H,1,11,14H2,(H,26,29)(H,24,27,28) |
| InChIKey | CFRWEWLWQZYFGJ-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 |
57342206
|
| Drug Bank Link | - |
| ChemSpider Link | 28521164 |
| ChEMBL Link | - |
