| General Property |
| Molceule ID (DB) | EGIN0004530 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3d |
| IUPAC Name | N-{3-[(5-chloro-2-{[4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide |
| Formula | C25H26ClN5O4 |
| Mass | 495.958 |
| Exact Mass | 495.1673321 |
| Composition | C (60.54%), H (5.28%), Cl (7.15%), N (14.12%), O (12.9%) |
| Atom Count | 61 |
| PI | 8.92 |
| Smiles | c1(nc(ncc1Cl)Nc1c(cc(cc1)N1CC[C@H](CC1)O)OC)Oc1cccc(c1)NC(=O)C=C |
| InChI | 1S/C25H26ClN5O4/c1-3-23(33)28-16-5-4-6-19(13-16)35-24-20(26)15-27-25(30-24)29-21-8-7-17(14-22(21)34-
2)31-11-9-18(32)10-12-31/h3-8,13-15,18,32H,1,9-12H2,2H3,(H,28,33)(H,27,29,30) |
| InChIKey | WFMLIFVNJOWRGP-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 |
49820731
|
| Drug Bank Link | - |
| ChemSpider Link | 26379652 |
| ChEMBL Link | CHEMBL1643972 |
