| General Property |
| Molceule ID (DB) | EGIN0001586 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 6g compound |
| IUPAC Name | (3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl pyrrolidine-1-carboxylate |
| Formula | C30H27ClFN5O3S |
| Mass | 592.083 |
| Exact Mass | 591.1507164 |
| Composition | C (60.86%), H (4.6%), Cl (5.99%), F (3.21%), N (11.83%), O (8.11%), S (5.42%) |
| Atom Count | 68 |
| PI | 11.48 |
| Smiles | n1cnc2c(c1Nc1ccc(c(c1)Cl)OCc1cccc(c1)F)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N1CCCC1 |
| InChI | 1S/C30H27ClFN5O3S/c31-25-14-22(7-9-27(25)39-17-19-4-3-5-20(32)12-19)36-29-28-26(34-18-35-29)15-24(41
-28)8-6-21-13-23(16-33-21)40-30(38)37-10-1-2-11-37/h3-5,7,9,12,14-15,18,21,23,33H,1-2,10-11,13,16-17
H2,(H,34,35,36)/t21-,23-/m1/s1 |
| InChIKey | UWADRORTXGMUIP-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 | 19028424 |
| 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 |
25263270
|
| Drug Bank Link | - |
| ChemSpider Link | 23344600 |
| ChEMBL Link | CHEMBL451513 |
