| General Property |
| Molceule ID (DB) | EGIN0001414 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 15n compound |
| IUPAC Name | (3R,5S)-5-{2-[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl morpholine-4-carboxylate |
| Formula | C31H28FN7O3S |
| Mass | 597.663 |
| Exact Mass | 597.1958367 |
| Composition | C (62.3%), H (4.72%), F (3.18%), N (16.41%), O (8.03%), S (5.37%) |
| Atom Count | 71 |
| PI | 11.15 |
| Smiles | n1cnc2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N1CCOCC1 |
| InChI | 1S/C31H28FN7O3S/c32-22-3-1-2-20(12-22)18-39-28-7-5-24(13-21(28)16-36-39)37-30-29-27(34-19-35-30)15-2
6(43-29)6-4-23-14-25(17-33-23)42-31(40)38-8-10-41-11-9-38/h1-3,5,7,12-13,15-16,19,23,25,33H,8-11,14,
17-18H2,(H,34,35,37)/t23-,25-/m1/s1 |
| InChIKey | LRLNQABHVFTDEO-ILBGXUMGSA-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 |
25263258
|
| Drug Bank Link | - |
| ChemSpider Link | 23335698 |
| ChEMBL Link | CHEMBL510845 |
