| General Property |
| Molceule ID (DB) | EGIN0001618 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 15a 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-ol |
| Formula | C25H20ClFN4O2S |
| Mass | 494.968 |
| Exact Mass | 494.0979525 |
| Composition | C (60.66%), H (4.07%), Cl (7.16%), F (3.84%), N (11.32%), O (6.46%), S (6.48%) |
| Atom Count | 54 |
| PI | 11.53 |
| Smiles | n1cnc2c(c1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)sc(c2)C#C[C@H]1NC[C@@H](C1)O |
| InChI | 1S/C25H20ClFN4O2S/c26-21-10-18(5-7-23(21)33-13-15-2-1-3-16(27)8-15)31-25-24-22(29-14-30-25)11-20(34-
24)6-4-17-9-19(32)12-28-17/h1-3,5,7-8,10-11,14,17,19,28,32H,9,12-13H2,(H,29,30,31)/t17-,19-/m1/s1 |
| InChIKey | SUSUDFJYOFEUFG-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 | 18842405 |
| 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 |
44580918
|
| Drug Bank Link | - |
| ChemSpider Link | 24708354 |
| ChEMBL Link | CHEMBL497804 |
