| General Property |
| Molceule ID (DB) | EGIN0001622 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 15e 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 ethyl carbonate |
| Formula | C28H24ClFN4O4S |
| Mass | 567.031 |
| Exact Mass | 566.1190819 |
| Composition | C (59.31%), H (4.27%), Cl (6.25%), F (3.35%), N (9.88%), O (11.29%), S (5.65%) |
| Atom Count | 63 |
| PI | 11.33 |
| Smiles | n1cnc2c(c1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)OCC |
| InChI | 1S/C28H24ClFN4O4S/c1-2-36-28(35)38-21-11-19(31-14-21)6-8-22-13-24-26(39-22)27(33-16-32-24)34-20-7-9-
25(23(29)12-20)37-15-17-4-3-5-18(30)10-17/h3-5,7,9-10,12-13,16,19,21,31H,2,11,14-15H2,1H3,(H,32,33,3
4)/t19-,21-/m1/s1 |
| InChIKey | DRBUBMJZARVZMC-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 |
44580971
|
| Drug Bank Link | - |
| ChemSpider Link | 24710389 |
| ChEMBL Link | CHEMBL500640 |
