| General Property |
| Molceule ID (DB) | EGIN0001419 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 15s compound |
| IUPAC Name | (3R,5S)-5-(2-{4-[(1-benzyl-1H-indol-5-yl)amino]thieno[3,2-d]pyrimidin-6-yl}ethynyl)pyrrolidin-3-yl morpholine-4-carboxylate |
| Formula | C32H30N6O3S |
| Mass | 578.684 |
| Exact Mass | 578.2100095 |
| Composition | C (66.42%), H (5.23%), N (14.52%), O (8.29%), S (5.54%) |
| Atom Count | 72 |
| PI | 11.21 |
| Smiles | n1cnc2c(c1Nc1ccc3c(c1)ccn3Cc1ccccc1)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N1CCOCC1 |
| InChI | 1S/C32H30N6O3S/c39-32(37-12-14-40-15-13-37)41-26-17-24(33-19-26)6-8-27-18-28-30(42-27)31(35-21-34-28
)36-25-7-9-29-23(16-25)10-11-38(29)20-22-4-2-1-3-5-22/h1-5,7,9-11,16,18,21,24,26,33H,12-15,17,19-20H
2,(H,34,35,36)/t24-,26-/m1/s1 |
| InChIKey | JKMMLNQHOCOLSR-AOYPEHQESA-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 23335703 |
| ChEMBL Link | CHEMBL500217 |
