| General Property |
| Molceule ID (DB) | EGIN0001411 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 15k compound |
| IUPAC Name | (3R,5S)-5-[2-(4-{[4-(pyridin-2-ylsulfanyl)phenyl]amino}thieno[3,2-d]pyrimidin-6-yl)ethynyl]pyrrolidin-3-yl morpholine-4-carboxylate |
| Formula | C28H26N6O3S2 |
| Mass | 558.674 |
| Exact Mass | 558.1507801 |
| Composition | C (60.2%), H (4.69%), N (15.04%), O (8.59%), S (11.48%) |
| Atom Count | 65 |
| PI | 11.24 |
| Smiles | n1cnc2c(c1Nc1ccc(cc1)Sc1ncccc1)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N1CCOCC1 |
| InChI | 1S/C28H26N6O3S2/c35-28(34-11-13-36-14-12-34)37-21-15-20(30-17-21)6-9-23-16-24-26(39-23)27(32-18-31-2
4)33-19-4-7-22(8-5-19)38-25-3-1-2-10-29-25/h1-5,7-8,10,16,18,20-21,30H,11-15,17H2,(H,31,32,33)/t20-,
21-/m1/s1 |
| InChIKey | WCDMWNJUWOHGEY-NHCUHLMSSA-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 |
25263255
|
| Drug Bank Link | - |
| ChemSpider Link | 23335695 |
| ChEMBL Link | CHEMBL457250 |
