| General Property |
| Molceule ID (DB) | EGIN0003100 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 15 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-methyl-5-[(1E)-{[3-(morpholin-4-yl)propoxy]imino}methyl]pyrimidin-4-amine |
| Formula | C26H29ClFN5O3 |
| Mass | 513.992 |
| Exact Mass | 513.1942957 |
| Composition | C (60.76%), H (5.69%), Cl (6.9%), F (3.7%), N (13.63%), O (9.34%) |
| Atom Count | 65 |
| PI | 11.35 |
| Smiles | c1(c(ncnc1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)C)/C=N/OCCCN1CCOCC1 |
| InChI | 1S/C26H29ClFN5O3/c1-19-23(16-31-36-11-3-8-33-9-12-34-13-10-33)26(30-18-29-19)32-22-6-7-25(24(27)15-2
2)35-17-20-4-2-5-21(28)14-20/h2,4-7,14-16,18H,3,8-13,17H2,1H3,(H,29,30,32)/b31-16+ |
| InChIKey | PUPXFZQHXRUOTN-WCMJOSRZSA-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 |
53322690
|
| Drug Bank Link | - |
| ChemSpider Link | 26388463 |
| ChEMBL Link | CHEMBL1683959 |
