| General Property |
| Molceule ID (DB) | EGIN0001402 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 15b compound |
| IUPAC Name | (3R,5S)-5-[2-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}thieno[3,2-d]pyrimidin-6-yl)ethynyl]pyrrolidin-3-yl morpholine-4-carboxylate |
| Formula | C29H27ClN6O4S |
| Mass | 591.08 |
| Exact Mass | 590.1503018 |
| Composition | C (58.93%), H (4.6%), Cl (6%), N (14.22%), O (10.83%), S (5.42%) |
| Atom Count | 65 |
| PI | 11.47 |
| Smiles | n1cnc2c(c1Nc1ccc(c(c1)Cl)OCc1ccccn1)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N1CCOCC1 |
| InChI | 1S/C29H27ClN6O4S/c30-24-14-20(5-7-26(24)39-17-21-3-1-2-8-31-21)35-28-27-25(33-18-34-28)15-23(41-27)6
-4-19-13-22(16-32-19)40-29(37)36-9-11-38-12-10-36/h1-3,5,7-8,14-15,18-19,22,32H,9-13,16-17H2,(H,33,3
4,35)/t19-,22-/m1/s1 |
| InChIKey | WFTNHECJAZFTJB-DENIHFKCSA-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 |
25263246
|
| Drug Bank Link | - |
| ChemSpider Link | 23335461 |
| ChEMBL Link | CHEMBL504117 |
