| General Property |
| Molceule ID (DB) | EGIN0000782 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 8g compound |
| IUPAC Name | N-(3-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)pyrimidin-5-yl]ethynyl}phenyl)methanesulfonamide |
| Formula | C26H20ClFN4O3S |
| Mass | 522.978 |
| Exact Mass | 522.0928671 |
| Composition | C (59.71%), H (3.85%), Cl (6.78%), F (3.63%), N (10.71%), O (9.18%), S (6.13%) |
| Atom Count | 56 |
| PI | 6.08 |
| Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c(cncn1)C#Cc1cccc(c1)NS(=O)(=O)C |
| InChI | 1S/C26H20ClFN4O3S/c1-36(33,34)32-23-7-3-4-18(13-23)8-9-20-15-29-17-30-26(20)31-22-10-11-25(24(27)14-
22)35-16-19-5-2-6-21(28)12-19/h2-7,10-15,17,32H,16H2,1H3,(H,29,30,31) |
| InChIKey | FSIMWMZEBKRAMX-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 | 16483772 |
| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | 23269740 |
| ChEMBL Link | CHEMBL208358 |
