| General Property |
| Molceule ID (DB) | EGIN0004528 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3f |
| IUPAC Name | N-{3-[(5-chloro-2-{[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide |
| Formula | C26H28ClN5O3 |
| Mass | 493.985 |
| Exact Mass | 493.1880675 |
| Composition | C (63.22%), H (5.71%), Cl (7.18%), N (14.18%), O (9.72%) |
| Atom Count | 63 |
| PI | 10.49 |
| Smiles | c1(nc(ncc1Cl)Nc1c(cc(cc1)C1CCN(CC1)C)OC)Oc1cccc(c1)NC(=O)C=C |
| InChI | 1S/C26H28ClN5O3/c1-4-24(33)29-19-6-5-7-20(15-19)35-25-21(27)16-28-26(31-25)30-22-9-8-18(14-23(22)34-
3)17-10-12-32(2)13-11-17/h4-9,14-17H,1,10-13H2,2-3H3,(H,29,33)(H,28,30,31) |
| InChIKey | AMIIOPMETQPKNF-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 |
49820120
|
| Drug Bank Link | - |
| ChemSpider Link | 26376869 |
| ChEMBL Link | CHEMBL1643974 |
