| General Property |
| Molceule ID (DB) | EGIN0001405 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 15e compound |
| IUPAC Name | (3R,5S)-5-[2-(4-{[5-(pyridin-2-yloxy)naphthalen-2-yl]amino}thieno[3,2-d]pyrimidin-6-yl)ethynyl]pyrrolidin-3-yl morpholine-4-carboxylate |
| Formula | C32H28N6O4S |
| Mass | 592.668 |
| Exact Mass | 592.1892741 |
| Composition | C (64.85%), H (4.76%), N (14.18%), O (10.8%), S (5.41%) |
| Atom Count | 71 |
| PI | 11.32 |
| Smiles | n1cnc2c(c1Nc1cc3c(cc1)c(ccc3)Oc1ccccn1)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N1CCOCC1 |
| InChI | 1S/C32H28N6O4S/c39-32(38-12-14-40-15-13-38)41-24-17-22(34-19-24)7-9-25-18-27-30(43-25)31(36-20-35-27
)37-23-8-10-26-21(16-23)4-3-5-28(26)42-29-6-1-2-11-33-29/h1-6,8,10-11,16,18,20,22,24,34H,12-15,17,19
H2,(H,35,36,37)/t22-,24-/m1/s1 |
| InChIKey | IUDNEWGUEHBBOQ-ISKFKSNPSA-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 |
25263249
|
| Drug Bank Link | - |
| ChemSpider Link | 23335464 |
| ChEMBL Link | CHEMBL452716 |
