| General Property |
| Molceule ID (DB) | EGIN0001410 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 15j compound |
| IUPAC Name | (3R,5S)-5-(2-{4-[(4-benzylphenyl)amino]thieno[3,2-d]pyrimidin-6-yl}ethynyl)pyrrolidin-3-yl morpholine-4-carboxylate |
| Formula | C30H29N5O3S |
| Mass | 539.648 |
| Exact Mass | 539.1991105 |
| Composition | C (66.77%), H (5.42%), N (12.98%), O (8.89%), S (5.94%) |
| Atom Count | 68 |
| PI | 11.51 |
| Smiles | n1cnc2c(c1Nc1ccc(cc1)Cc1ccccc1)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N1CCOCC1 |
| InChI | 1S/C30H29N5O3S/c36-30(35-12-14-37-15-13-35)38-25-17-24(31-19-25)10-11-26-18-27-28(39-26)29(33-20-32-
27)34-23-8-6-22(7-9-23)16-21-4-2-1-3-5-21/h1-9,18,20,24-25,31H,12-17,19H2,(H,32,33,34)/t24-,25-/m1/s
1 |
| InChIKey | QAOIGWCWWITZTC-JWQCQUIFSA-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 |
25263254
|
| Drug Bank Link | - |
| ChemSpider Link | 23335637 |
| ChEMBL Link | CHEMBL455434 |
