| General Property |
| Molceule ID (DB) | EGIN0003105 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 20 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-methyl-5-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]pyrimidin-4-amine |
| Formula | C31H30ClFN4O2 |
| Mass | 545.047 |
| Exact Mass | 544.2041321 |
| Composition | C (68.31%), H (5.55%), Cl (6.5%), F (3.49%), N (10.28%), O (5.87%) |
| Atom Count | 69 |
| PI | 11.56 |
| Smiles | c1(c(ncnc1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)C)/C=C/c1ccc(cc1)CN1CCOCC1 |
| InChI | 1S/C31H30ClFN4O2/c1-22-28(11-9-23-5-7-24(8-6-23)19-37-13-15-38-16-14-37)31(35-21-34-22)36-27-10-12-3
0(29(32)18-27)39-20-25-3-2-4-26(33)17-25/h2-12,17-18,21H,13-16,19-20H2,1H3,(H,34,35,36)/b11-9+ |
| InChIKey | QZLWDYINRJTWPO-PKNBQFBNSA-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 | 21334203 |
| 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 |
51346887
|
| Drug Bank Link | - |
| ChemSpider Link | 26388164 |
| ChEMBL Link | CHEMBL1683964 |
