| General Property |
| Molceule ID (DB) | EGIN0001403 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 15c compound |
| IUPAC Name | (3R,5S)-5-[2-(4-{[3-chloro-4-(1,3-thiazol-4-ylmethoxy)phenyl]amino}thieno[3,2-d]pyrimidin-6-yl)ethynyl]pyrrolidin-3-yl morpholine-4-carboxylate |
| Formula | C27H25ClN6O4S2 |
| Mass | 597.108 |
| Exact Mass | 596.1067224 |
| Composition | C (54.31%), H (4.22%), Cl (5.94%), N (14.07%), O (10.72%), S (10.74%) |
| Atom Count | 65 |
| PI | 11.47 |
| Smiles | n1cnc2c(c1Nc1ccc(c(c1)Cl)OCc1cscn1)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N1CCOCC1 |
| InChI | 1S/C27H25ClN6O4S2/c28-22-10-18(2-4-24(22)37-13-19-14-39-16-32-19)33-26-25-23(30-15-31-26)11-21(40-25
)3-1-17-9-20(12-29-17)38-27(35)34-5-7-36-8-6-34/h2,4,10-11,14-17,20,29H,5-9,12-13H2,(H,30,31,33)/t17
-,20-/m1/s1 |
| InChIKey | LYJHHXBOBVEKHY-YLJYHZDGSA-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 |
25263247
|
| Drug Bank Link | - |
| ChemSpider Link | 23335462 |
| ChEMBL Link | CHEMBL508760 |
