| General Property |
| Molceule ID (DB) | EGIN0001406 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 15f compound |
| IUPAC Name | (3R,5S)-5-[2-(4-{[3-chloro-4-(pyridin-2-yloxy)phenyl]amino}thieno[3,2-d]pyrimidin-6-yl)ethynyl]pyrrolidin-3-yl morpholine-4-carboxylate |
| Formula | C28H25ClN6O4S |
| Mass | 577.054 |
| Exact Mass | 576.1346517 |
| Composition | C (58.28%), H (4.37%), Cl (6.14%), N (14.56%), O (11.09%), S (5.56%) |
| Atom Count | 65 |
| PI | 11.34 |
| Smiles | n1cnc2c(c1Nc1ccc(c(c1)Cl)Oc1ncccc1)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N1CCOCC1 |
| InChI | 1S/C28H25ClN6O4S/c29-22-14-19(5-7-24(22)39-25-3-1-2-8-30-25)34-27-26-23(32-17-33-27)15-21(40-26)6-4-
18-13-20(16-31-18)38-28(36)35-9-11-37-12-10-35/h1-3,5,7-8,14-15,17-18,20,31H,9-13,16H2,(H,32,33,34)/
t18-,20-/m1/s1 |
| InChIKey | LJKWMYHCZOUEOQ-UYAOXDASSA-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 | 19208477 |
| 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 |
25263250
|
| Drug Bank Link | - |
| ChemSpider Link | 23335526 |
| ChEMBL Link | CHEMBL453398 |
