| General Property |
| Molceule ID (DB) | EGIN0001408 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 15h compound |
| IUPAC Name | (3R,5S)-5-{2-[4-({3-chloro-4-[(6-fluoroquinolin-4-yl)oxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl morpholine-4-carboxylate |
| Formula | C32H26ClFN6O4S |
| Mass | 645.103 |
| Exact Mass | 644.14088 |
| Composition | C (59.58%), H (4.06%), Cl (5.5%), F (2.95%), N (13.03%), O (9.92%), S (4.97%) |
| Atom Count | 71 |
| PI | 11.38 |
| Smiles | n1cnc2c(c1Nc1ccc(c(c1)Cl)Oc1c3c(ncc1)ccc(c3)F)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N1CCOCC1 |
| InChI | 1S/C32H26ClFN6O4S/c33-25-15-21(3-6-29(25)44-28-7-8-35-26-5-1-19(34)13-24(26)28)39-31-30-27(37-18-38-
31)16-23(45-30)4-2-20-14-22(17-36-20)43-32(41)40-9-11-42-12-10-40/h1,3,5-8,13,15-16,18,20,22,36H,9-1
2,14,17H2,(H,37,38,39)/t20-,22-/m1/s1 |
| InChIKey | FCKGEOQXHWZJHO-IFMALSPDSA-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 |
25263252
|
| Drug Bank Link | - |
| ChemSpider Link | 23335635 |
| ChEMBL Link | CHEMBL505463 |
