| General Property |
| Molceule ID (DB) | EGIN0004518 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3o |
| IUPAC Name | 4-({5-chloro-4-[3-(prop-2-enamido)phenoxy]pyrimidin-2-yl}amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide |
| Formula | C27H29ClN6O4 |
| Mass | 537.01 |
| Exact Mass | 536.1938812 |
| Composition | C (60.39%), H (5.44%), Cl (6.6%), N (15.65%), O (11.92%) |
| Atom Count | 67 |
| PI | 9.72 |
| Smiles | c1c(cc(c(c1)Nc1nc(c(cn1)Cl)Oc1cccc(c1)NC(=O)C=C)OC)C(=O)NC1CCN(CC1)C |
| InChI | 1S/C27H29ClN6O4/c1-4-24(35)30-19-6-5-7-20(15-19)38-26-21(28)16-29-27(33-26)32-22-9-8-17(14-23(22)37-
3)25(36)31-18-10-12-34(2)13-11-18/h4-9,14-16,18H,1,10-13H2,2-3H3,(H,30,35)(H,31,36)(H,29,32,33) |
| InChIKey | QPLITSLZRKUXIV-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 |
49820576
|
| Drug Bank Link | - |
| ChemSpider Link | 26380514 |
| ChEMBL Link | CHEMBL1643982 |
