| General Property |
| Molceule ID (DB) | EGIN0001621 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 15d 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 propanoate |
| Formula | C28H24ClFN4O3S |
| Mass | 551.032 |
| Exact Mass | 550.1241673 |
| Composition | C (61.03%), H (4.39%), Cl (6.43%), F (3.45%), N (10.17%), O (8.71%), S (5.82%) |
| Atom Count | 62 |
| PI | 11.48 |
| Smiles | n1cnc2c(c1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)CC |
| InChI | 1S/C28H24ClFN4O3S/c1-2-26(35)37-21-11-19(31-14-21)6-8-22-13-24-27(38-22)28(33-16-32-24)34-20-7-9-25(
23(29)12-20)36-15-17-4-3-5-18(30)10-17/h3-5,7,9-10,12-13,16,19,21,31H,2,11,14-15H2,1H3,(H,32,33,34)/
t19-,21-/m1/s1 |
| InChIKey | MKBPBVLIFVBKCV-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 | 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 |
44580951
|
| Drug Bank Link | - |
| ChemSpider Link | 24709552 |
| ChEMBL Link | CHEMBL500381 |
