| General Property |
| Molceule ID (DB) | EGIN0004533 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3b |
| IUPAC Name | N-{3-[(5-chloro-2-{[2-methoxy-4-(pyridin-4-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide |
| Formula | C25H20ClN5O3 |
| Mass | 473.911 |
| Exact Mass | 473.1254672 |
| Composition | C (63.36%), H (4.25%), Cl (7.48%), N (14.78%), O (10.13%) |
| Atom Count | 54 |
| PI | 8.34 |
| Smiles | c1(nc(ncc1Cl)Nc1c(cc(cc1)c1ccncc1)OC)Oc1cccc(c1)NC(=O)C=C |
| InChI | 1S/C25H20ClN5O3/c1-3-23(32)29-18-5-4-6-19(14-18)34-24-20(26)15-28-25(31-24)30-21-8-7-17(13-22(21)33-
2)16-9-11-27-12-10-16/h3-15H,1H2,2H3,(H,29,32)(H,28,30,31) |
| InChIKey | MARDGWYHMDCQQW-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 |
53319303
|
| Drug Bank Link | - |
| ChemSpider Link | 26378611 |
| ChEMBL Link | CHEMBL1643970 |
