| General Property |
| Molceule ID (DB) | EGIN0004525 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3i |
| IUPAC Name | N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide |
| Formula | C25H27ClN6O3 |
| Mass | 494.973 |
| Exact Mass | 494.1833165 |
| Composition | C (60.66%), H (5.5%), Cl (7.16%), N (16.98%), O (9.7%) |
| Atom Count | 62 |
| PI | 10.41 |
| Smiles | c1(nc(ncc1Cl)Nc1c(cc(cc1)N1CCN(CC1)C)OC)Oc1cccc(c1)NC(=O)C=C |
| InChI | 1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-
3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) |
| InChIKey | ITTRLTNMFYIYPA-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 |
44607530
|
| Drug Bank Link | - |
| ChemSpider Link | 24608638 |
| ChEMBL Link | CHEMBL1229592 |
