| General Property |
| Molceule ID (DB) | EGIN0001616 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 11 compound |
| IUPAC Name | 1-[(2R)-2-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-1-yl]ethan-1-one |
| Formula | C27H22ClFN4O2S |
| Mass | 521.006 |
| Exact Mass | 520.1136026 |
| Composition | C (62.24%), H (4.26%), Cl (6.8%), F (3.65%), N (10.75%), O (6.14%), S (6.15%) |
| Atom Count | 58 |
| PI | 8.17 |
| Smiles | n1cnc2c(c1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)sc(c2)C#C[C@@H]1N(CCC1)C(=O)C |
| InChI | 1S/C27H22ClFN4O2S/c1-17(34)33-11-3-6-21(33)8-9-22-14-24-26(36-22)27(31-16-30-24)32-20-7-10-25(23(28)
13-20)35-15-18-4-2-5-19(29)12-18/h2,4-5,7,10,12-14,16,21H,3,6,11,15H2,1H3,(H,30,31,32)/t21-/m1/s1 |
| InChIKey | SJNOIJITAJHKOV-OAQYLSRUSA-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 | 18842405 |
| 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 |
44580916
|
| Drug Bank Link | - |
| ChemSpider Link | 24706798 |
| ChEMBL Link | CHEMBL495734 |
