| General Property |
| Molceule ID (DB) | EGIN0001628 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 15k compound |
| IUPAC Name | N-[(3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl]ethane-1-sulfonamide |
| Formula | C27H25ClFN5O3S2 |
| Mass | 586.101 |
| Exact Mass | 585.107137 |
| Composition | C (55.33%), H (4.3%), Cl (6.05%), F (3.24%), N (11.95%), O (8.19%), S (10.94%) |
| Atom Count | 64 |
| PI | 9.53 |
| Smiles | n1cnc2c(c1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)sc(c2)C#C[C@H]1NC[C@@H](C1)NS(=O)(=O)CC |
| InChI | 1S/C27H25ClFN5O3S2/c1-2-39(35,36)34-21-11-19(30-14-21)6-8-22-13-24-26(38-22)27(32-16-31-24)33-20-7-9
-25(23(28)12-20)37-15-17-4-3-5-18(29)10-17/h3-5,7,9-10,12-13,16,19,21,30,34H,2,11,14-15H2,1H3,(H,31,
32,33)/t19-,21-/m1/s1 |
| InChIKey | HZCGTIZXDADJDG-TZIWHRDSSA-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 |
44581017
|
| Drug Bank Link | - |
| ChemSpider Link | 24710819 |
| ChEMBL Link | CHEMBL501705 |
