| General Property |
| Molceule ID (DB) | EGIN0001420 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 15t compound |
| IUPAC Name | (3R,5S)-5-[2-(4-{[1-(2-phenylethyl)-1H-indol-5-yl]amino}thieno[3,2-d]pyrimidin-6-yl)ethynyl]pyrrolidin-3-yl morpholine-4-carboxylate |
| Formula | C33H32N6O3S |
| Mass | 592.711 |
| Exact Mass | 592.2256596 |
| Composition | C (66.87%), H (5.44%), N (14.18%), O (8.1%), S (5.41%) |
| Atom Count | 75 |
| PI | 11.21 |
| Smiles | n1cnc2c(c1Nc1ccc3c(c1)ccn3CCc1ccccc1)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N1CCOCC1 |
| InChI | 1S/C33H32N6O3S/c40-33(39-14-16-41-17-15-39)42-27-19-25(34-21-27)6-8-28-20-29-31(43-28)32(36-22-35-29
)37-26-7-9-30-24(18-26)11-13-38(30)12-10-23-4-2-1-3-5-23/h1-5,7,9,11,13,18,20,22,25,27,34H,10,12,14-
17,19,21H2,(H,35,36,37)/t25-,27-/m1/s1 |
| InChIKey | JOAKGRBKTPJXHB-XNMGPUDCSA-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 | 23335704 |
| ChEMBL Link | CHEMBL447720 |
