| General Property |
| Molceule ID (DB) | EGIN0001413 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 15m compound |
| IUPAC Name | (3R,5S)-5-(2-{4-[(1-benzyl-1H-indazol-5-yl)amino]thieno[3,2-d]pyrimidin-6-yl}ethynyl)pyrrolidin-3-yl morpholine-4-carboxylate |
| Formula | C31H29N7O3S |
| Mass | 579.672 |
| Exact Mass | 579.2052585 |
| Composition | C (64.23%), H (5.04%), N (16.91%), O (8.28%), S (5.53%) |
| Atom Count | 71 |
| PI | 11.15 |
| Smiles | n1cnc2c(c1Nc1ccc3c(c1)cnn3Cc1ccccc1)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N1CCOCC1 |
| InChI | 1S/C31H29N7O3S/c39-31(37-10-12-40-13-11-37)41-25-15-23(32-18-25)6-8-26-16-27-29(42-26)30(34-20-33-27
)36-24-7-9-28-22(14-24)17-35-38(28)19-21-4-2-1-3-5-21/h1-5,7,9,14,16-17,20,23,25,32H,10-13,15,18-19H
2,(H,33,34,36)/t23-,25-/m1/s1 |
| InChIKey | SDHRCQGCPUPURT-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 |
25263257
|
| Drug Bank Link | - |
| ChemSpider Link | 23335697 |
| ChEMBL Link | CHEMBL507821 |
