| General Property |
| Molceule ID (DB) | EGIN0001617 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 12 compound |
| IUPAC Name | methyl (2R)-2-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidine-1-carboxylate |
| Formula | C27H22ClFN4O3S |
| Mass | 537.005 |
| Exact Mass | 536.1085172 |
| Composition | C (60.39%), H (4.13%), Cl (6.6%), F (3.54%), N (10.43%), O (8.94%), S (5.97%) |
| Atom Count | 59 |
| PI | 8.17 |
| Smiles | n1cnc2c(c1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)sc(c2)C#C[C@@H]1N(CCC1)C(=O)OC |
| InChI | 1S/C27H22ClFN4O3S/c1-35-27(34)33-11-3-6-20(33)8-9-21-14-23-25(37-21)26(31-16-30-23)32-19-7-10-24(22(
28)13-19)36-15-17-4-2-5-18(29)12-17/h2,4-5,7,10,12-14,16,20H,3,6,11,15H2,1H3,(H,30,31,32)/t20-/m1/s1 |
| InChIKey | PQJQRBWLIHKVMV-HXUWFJFHSA-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 |
44580917
|
| Drug Bank Link | - |
| ChemSpider Link | 24708226 |
| ChEMBL Link | CHEMBL497803 |
