| General Property |
| Molceule ID (DB) | EGIN0001412 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 15l compound |
| IUPAC Name | (3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)sulfanyl]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl morpholine-4-carboxylate |
| Formula | C29H25ClFN5O3S2 |
| Mass | 610.122 |
| Exact Mass | 609.107137 |
| Composition | C (57.09%), H (4.13%), Cl (5.81%), F (3.11%), N (11.48%), O (7.87%), S (10.51%) |
| Atom Count | 66 |
| PI | 11.13 |
| Smiles | n1cnc2c(c1Nc1ccc(c(c1)Cl)Sc1cccc(c1)F)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N1CCOCC1 |
| InChI | 1S/C29H25ClFN5O3S2/c30-24-14-20(5-7-26(24)40-22-3-1-2-18(31)12-22)35-28-27-25(33-17-34-28)15-23(41-2
7)6-4-19-13-21(16-32-19)39-29(37)36-8-10-38-11-9-36/h1-3,5,7,12,14-15,17,19,21,32H,8-11,13,16H2,(H,3
3,34,35)/t19-,21-/m1/s1 |
| InChIKey | RJZPDKUWHMCJNM-TZIWHRDSSA-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 |
25263256
|
| Drug Bank Link | - |
| ChemSpider Link | 23335696 |
| ChEMBL Link | CHEMBL501050 |
