| General Property |
| Molceule ID (DB) | EGIN0004521 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3l |
| IUPAC Name | N-(3-{[5-chloro-2-({2-methoxy-4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}amino)pyrimidin-4-yl]oxy}phenyl)prop-2-enamide |
| Formula | C26H27ClN6O4 |
| Mass | 522.983 |
| Exact Mass | 522.1782311 |
| Composition | C (59.71%), H (5.2%), Cl (6.78%), N (16.07%), O (12.24%) |
| Atom Count | 64 |
| PI | 8.87 |
| Smiles | c1c(cc(c(c1)Nc1nc(c(cn1)Cl)Oc1cccc(c1)NC(=O)C=C)OC)C(=O)N1CCN(CC1)C |
| InChI | 1S/C26H27ClN6O4/c1-4-23(34)29-18-6-5-7-19(15-18)37-24-20(27)16-28-26(31-24)30-21-9-8-17(14-22(21)36-
3)25(35)33-12-10-32(2)11-13-33/h4-9,14-16H,1,10-13H2,2-3H3,(H,29,34)(H,28,30,31) |
| InChIKey | BPEFCDBVGABAOI-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 |
53322993
|
| Drug Bank Link | - |
| ChemSpider Link | 26378833 |
| ChEMBL Link | CHEMBL1643979 |
