| General Property |
| Molceule ID (DB) | EGIN0004519 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3n |
| IUPAC Name | 4-({5-chloro-4-[3-(prop-2-enamido)phenoxy]pyrimidin-2-yl}amino)-N-(1-methylpiperidin-4-yl)benzamide |
| Formula | C26H27ClN6O3 |
| Mass | 506.984 |
| Exact Mass | 506.1833165 |
| Composition | C (61.6%), H (5.37%), Cl (6.99%), N (16.58%), O (9.47%) |
| Atom Count | 63 |
| PI | 10.43 |
| Smiles | c1c(ccc(c1)Nc1nc(c(cn1)Cl)Oc1cccc(c1)NC(=O)C=C)C(=O)NC1CCN(CC1)C |
| InChI | 1S/C26H27ClN6O3/c1-3-23(34)29-20-5-4-6-21(15-20)36-25-22(27)16-28-26(32-25)31-18-9-7-17(8-10-18)24(3
5)30-19-11-13-33(2)14-12-19/h3-10,15-16,19H,1,11-14H2,2H3,(H,29,34)(H,30,35)(H,28,31,32) |
| InChIKey | PBASYWQZSPYOHZ-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 |
53325424
|
| Drug Bank Link | - |
| ChemSpider Link | 26375666 |
| ChEMBL Link | CHEMBL1643981 |
