| General Property |
| Molceule ID (DB) | EGIN0003115 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 4 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-5-[5-(4-ethylpiperazin-1-yl)pent-1-yn-1-yl]-6-methylpyrimidin-4-amine |
| Formula | C29H33ClFN5O |
| Mass | 522.057 |
| Exact Mass | 521.2357666 |
| Composition | C (66.72%), H (6.37%), Cl (6.79%), F (3.64%), N (13.41%), O (3.06%) |
| Atom Count | 70 |
| PI | 12.2 |
| Smiles | c1(c(ncnc1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)C)C#CCCCN1CCN(CC1)CC |
| InChI | 1S/C29H33ClFN5O/c1-3-35-14-16-36(17-15-35)13-6-4-5-10-26-22(2)32-21-33-29(26)34-25-11-12-28(27(30)19
-25)37-20-23-8-7-9-24(31)18-23/h7-9,11-12,18-19,21H,3-4,6,13-17,20H2,1-2H3,(H,32,33,34) |
| InChIKey | NHXPKHTXOWBCBM-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 | 22101132 | 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 |
11955112
|
| Drug Bank Link | - |
| ChemSpider Link | 10129401 |
| ChEMBL Link | CHEMBL1683974 |
