| General Property |
| Molceule ID (DB) | EGIN0001415 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 15o compound |
| IUPAC Name | (3R,5S)-5-{2-[4-({1-[(2,5-difluorophenyl)methyl]-1H-indazol-5-yl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl morpholine-4-carboxylate |
| Formula | C31H27F2N7O3S |
| Mass | 615.653 |
| Exact Mass | 615.1864149 |
| Composition | C (60.48%), H (4.42%), F (6.17%), N (15.93%), O (7.8%), S (5.21%) |
| Atom Count | 71 |
| PI | 11.15 |
| Smiles | n1cnc2c(c1Nc1ccc3c(c1)cnn3Cc1c(ccc(c1)F)F)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N1CCOCC1 |
| InChI | 1S/C31H27F2N7O3S/c32-21-1-5-26(33)20(11-21)17-40-28-6-3-23(12-19(28)15-37-40)38-30-29-27(35-18-36-30
)14-25(44-29)4-2-22-13-24(16-34-22)43-31(41)39-7-9-42-10-8-39/h1,3,5-6,11-12,14-15,18,22,24,34H,7-10
,13,16-17H2,(H,35,36,38)/t22-,24-/m1/s1 |
| InChIKey | HRADRJGXRLBLGD-ISKFKSNPSA-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 |
25263259
|
| Drug Bank Link | - |
| ChemSpider Link | 23335699 |
| ChEMBL Link | CHEMBL500072 |
