| General Property |
| Molceule ID (DB) | EGIN0001409 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 15i compound |
| IUPAC Name | (3R,5S)-5-(2-{4-[(4-phenoxyphenyl)amino]thieno[3,2-d]pyrimidin-6-yl}ethynyl)pyrrolidin-3-yl morpholine-4-carboxylate |
| Formula | C29H27N5O4S |
| Mass | 541.621 |
| Exact Mass | 541.1783751 |
| Composition | C (64.31%), H (5.02%), N (12.93%), O (11.82%), S (5.92%) |
| Atom Count | 66 |
| PI | 11.56 |
| Smiles | n1cnc2c(c1Nc1ccc(cc1)Oc1ccccc1)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N1CCOCC1 |
| InChI | 1S/C29H27N5O4S/c35-29(34-12-14-36-15-13-34)38-24-16-21(30-18-24)8-11-25-17-26-27(39-25)28(32-19-31-2
6)33-20-6-9-23(10-7-20)37-22-4-2-1-3-5-22/h1-7,9-10,17,19,21,24,30H,12-16,18H2,(H,31,32,33)/t21-,24-
/m1/s1 |
| InChIKey | DGEHAYRPCHLSLA-ZJSXRUAMSA-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 |
21728187
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL455433 |
