| General Property |
| Molceule ID (DB) | EGIN0001404 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 15d compound |
| IUPAC Name | (3R,5S)-5-{2-[4-({6-[(3-fluorophenyl)methoxy]pyridin-3-yl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl morpholine-4-carboxylate |
| Formula | C29H27FN6O4S |
| Mass | 574.626 |
| Exact Mass | 574.1798523 |
| Composition | C (60.62%), H (4.74%), F (3.31%), N (14.63%), O (11.14%), S (5.58%) |
| Atom Count | 68 |
| PI | 10.92 |
| Smiles | n1cnc2c(c1Nc1ccc(nc1)OCc1cc(ccc1)F)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N1CCOCC1 |
| InChI | 1S/C29H27FN6O4S/c30-20-3-1-2-19(12-20)17-39-26-7-5-22(15-32-26)35-28-27-25(33-18-34-28)14-24(41-27)6
-4-21-13-23(16-31-21)40-29(37)36-8-10-38-11-9-36/h1-3,5,7,12,14-15,18,21,23,31H,8-11,13,16-17H2,(H,3
3,34,35)/t21-,23-/m1/s1 |
| InChIKey | NWRYHCNPTDKBAI-FYYLOGMGSA-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 |
25263248
|
| Drug Bank Link | - |
| ChemSpider Link | 23335463 |
| ChEMBL Link | CHEMBL449949 |
