| General Property |
| Molceule ID (DB) | EGIN0001580 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 6a 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 carbamate |
| Formula | C26H21ClFN5O3S |
| Mass | 537.993 |
| Exact Mass | 537.1037662 |
| Composition | C (58.05%), H (3.93%), Cl (6.59%), F (3.53%), N (13.02%), O (8.92%), S (5.96%) |
| Atom Count | 58 |
| PI | 11.32 |
| Smiles | n1cnc2c(c1Nc1ccc(c(c1)Cl)OCc1cccc(c1)F)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N |
| InChI | 1S/C26H21ClFN5O3S/c27-21-10-18(5-7-23(21)35-13-15-2-1-3-16(28)8-15)33-25-24-22(31-14-32-25)11-20(37-
24)6-4-17-9-19(12-30-17)36-26(29)34/h1-3,5,7-8,10-11,14,17,19,30H,9,12-13H2,(H2,29,34)(H,31,32,33)/t
17-,19-/m1/s1 |
| InChIKey | QAIGLWIBJKERDJ-IEBWSBKVSA-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 |
25263267
|
| Drug Bank Link | - |
| ChemSpider Link | 23344552 |
| ChEMBL Link | CHEMBL461426 |
