| General Property |
| Molceule ID (DB) | EGIN0001582 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 15g 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 N-ethylcarbamate |
| Formula | C28H25ClFN5O3S |
| Mass | 566.046 |
| Exact Mass | 565.1350663 |
| Composition | C (59.41%), H (4.45%), Cl (6.26%), F (3.36%), N (12.37%), O (8.48%), S (5.66%) |
| Atom Count | 64 |
| PI | 11.42 |
| Smiles | n1cnc2c(c1Nc1ccc(c(c1)Cl)OCc1cccc(c1)F)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)NCC |
| InChI | 1S/C28H25ClFN5O3S/c1-2-31-28(36)38-21-11-19(32-14-21)6-8-22-13-24-26(39-22)27(34-16-33-24)35-20-7-9-
25(23(29)12-20)37-15-17-4-3-5-18(30)10-17/h3-5,7,9-10,12-13,16,19,21,32H,2,11,14-15H2,1H3,(H,31,36)(
H,33,34,35)/t19-,21-/m1/s1 |
| InChIKey | IYINYGZMZPUBOK-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 | 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 |
11307581
|
| Drug Bank Link | - |
| ChemSpider Link | 9482556 |
| ChEMBL Link | CHEMBL512076 |
