| General Property |
| Molceule ID (DB) | EGIN0003113 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 28 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-methyl-5-[(3E)-3-{[2-(morpholin-4-yl)ethoxy]imino}prop-1-yn-1-yl]pyrimidin-4-amine |
| Formula | C27H27ClFN5O3 |
| Mass | 523.986 |
| Exact Mass | 523.1786457 |
| Composition | C (61.89%), H (5.19%), Cl (6.77%), F (3.63%), N (13.37%), O (9.16%) |
| Atom Count | 64 |
| PI | 10.79 |
| Smiles | c1(c(ncnc1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)C)C#C/C=N/OCCN1CCOCC1 |
| InChI | 1S/C27H27ClFN5O3/c1-20-24(6-3-9-32-37-15-12-34-10-13-35-14-11-34)27(31-19-30-20)33-23-7-8-26(25(28)1
7-23)36-18-21-4-2-5-22(29)16-21/h2,4-5,7-9,16-17,19H,10-15,18H2,1H3,(H,30,31,33)/b32-9+ |
| InChIKey | DBDJGLFOLVMUOF-QILCKVHPSA-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 |
53317175
|
| Drug Bank Link | - |
| ChemSpider Link | 26387361 |
| ChEMBL Link | CHEMBL1683972 |
