| General Property |
| Molceule ID (DB) | EGIN0004514 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3t |
| IUPAC Name | N-(3-{[5-chloro-2-({4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}amino)pyrimidin-4-yl]oxy}phenyl)prop-2-enamide |
| Formula | C26H29ClN6O2 |
| Mass | 493 |
| Exact Mass | 492.2040519 |
| Composition | C (63.34%), H (5.93%), Cl (7.19%), N (17.05%), O (6.49%) |
| Atom Count | 64 |
| PI | 10.98 |
| Smiles | c1c(ccc(c1)Nc1nc(c(cn1)Cl)Oc1cccc(c1)NC(=O)C=C)CCN1CCN(CC1)C |
| InChI | 1S/C26H29ClN6O2/c1-3-24(34)29-21-5-4-6-22(17-21)35-25-23(27)18-28-26(31-25)30-20-9-7-19(8-10-20)11-1
2-33-15-13-32(2)14-16-33/h3-10,17-18H,1,11-16H2,2H3,(H,29,34)(H,28,30,31) |
| InChIKey | FXIZPLLEWPMMAD-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 |
53324590
|
| Drug Bank Link | - |
| ChemSpider Link | 26378734 |
| ChEMBL Link | CHEMBL1643986 |
