| General Property |
| Molceule ID (DB) | EGIN0004529 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3e |
| IUPAC Name | N-(3-{[5-chloro-2-({2-methoxy-4-[(3S)-1-methylpiperidin-3-yl]phenyl}amino)pyrimidin-4-yl]oxy}phenyl)prop-2-enamide |
| Formula | C26H28ClN5O3 |
| Mass | 493.985 |
| Exact Mass | 493.1880675 |
| Composition | C (63.22%), H (5.71%), Cl (7.18%), N (14.18%), O (9.72%) |
| Atom Count | 63 |
| PI | 10.37 |
| Smiles | c1(nc(ncc1Cl)Nc1c(cc(cc1)[C@H]1CN(CCC1)C)OC)Oc1cccc(c1)NC(=O)C=C |
| InChI | 1S/C26H28ClN5O3/c1-4-24(33)29-19-8-5-9-20(14-19)35-25-21(27)15-28-26(31-25)30-22-11-10-17(13-23(22)3
4-3)18-7-6-12-32(2)16-18/h4-5,8-11,13-15,18H,1,6-7,12,16H2,2-3H3,(H,29,33)(H,28,30,31)/t18-/m1/s1 |
| InChIKey | KDYFHVQTRZDZBU-GOSISDBHSA-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 |
23260788
|
| Drug Bank Link | - |
| ChemSpider Link | 26378238 |
| ChEMBL Link | - |
