| General Property |
| Molceule ID (DB) | EGIN0004520 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 3m |
| IUPAC Name | 4-({5-chloro-4-[3-(prop-2-enamido)phenoxy]pyrimidin-2-yl}amino)-3-methoxy-N-[2-(morpholin-4-yl)ethyl]benzamide |
| Formula | C27H29ClN6O5 |
| Mass | 553.009 |
| Exact Mass | 552.1887958 |
| Composition | C (58.64%), H (5.29%), Cl (6.41%), N (15.2%), O (14.47%) |
| Atom Count | 68 |
| PI | 8.47 |
| Smiles | c1c(cc(c(c1)Nc1nc(c(cn1)Cl)Oc1cccc(c1)NC(=O)C=C)OC)C(=O)NCCN1CCOCC1 |
| InChI | 1S/C27H29ClN6O5/c1-3-24(35)31-19-5-4-6-20(16-19)39-26-21(28)17-30-27(33-26)32-22-8-7-18(15-23(22)37-
2)25(36)29-9-10-34-11-13-38-14-12-34/h3-8,15-17H,1,9-14H2,2H3,(H,29,36)(H,31,35)(H,30,32,33) |
| InChIKey | KHSOVSPRZJXEJX-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 |
49819114
|
| Drug Bank Link | - |
| ChemSpider Link | 26380307 |
| ChEMBL Link | CHEMBL1643980 |
