| General Property |
| Molceule ID (DB) | EGIN0001421 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 15u compound |
| IUPAC Name | (3R,5S)-5-[2-(4-{[1-(1,3-thiazol-4-ylmethyl)-1H-indol-5-yl]amino}thieno[3,2-d]pyrimidin-6-yl)ethynyl]pyrrolidin-3-yl morpholine-4-carboxylate |
| Formula | C29H27N7O3S2 |
| Mass | 585.7 |
| Exact Mass | 585.1616791 |
| Composition | C (59.47%), H (4.65%), N (16.74%), O (8.2%), S (10.95%) |
| Atom Count | 68 |
| PI | 11.21 |
| Smiles | n1cnc2c(c1Nc1ccc3c(c1)ccn3Cc1cscn1)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N1CCOCC1 |
| InChI | 1S/C29H27N7O3S2/c37-29(35-7-9-38-10-8-35)39-23-12-20(30-14-23)1-3-24-13-25-27(41-24)28(32-17-31-25)3
4-21-2-4-26-19(11-21)5-6-36(26)15-22-16-40-18-33-22/h2,4-6,11,13,16-18,20,23,30H,7-10,12,14-15H2,(H,
31,32,34)/t20-,23-/m1/s1 |
| InChIKey | OMQOMUUJUACRFX-NFBKMPQASA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 23335705 |
| ChEMBL Link | CHEMBL451347 |
