| General Property |
| Molceule ID (DB) | EGIN0004515 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3s |
| IUPAC Name | N-(3-{[5-chloro-2-({4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)pyrimidin-4-yl]oxy}phenyl)prop-2-enamide |
| 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 | 10.04 |
| Smiles | c1c(ccc(c1)Nc1nc(c(cn1)Cl)Oc1cccc(c1)NC(=O)C=C)CC(=O)N1CCN(CC1)C |
| InChI | 1S/C26H27ClN6O3/c1-3-23(34)29-20-5-4-6-21(16-20)36-25-22(27)17-28-26(31-25)30-19-9-7-18(8-10-19)15-2
4(35)33-13-11-32(2)12-14-33/h3-10,16-17H,1,11-15H2,2H3,(H,29,34)(H,28,30,31) |
| InChIKey | PATSNFRLSJKMKA-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 |
53320597
|
| Drug Bank Link | - |
| ChemSpider Link | 26377998 |
| ChEMBL Link | CHEMBL1643985 |
