| General Property |
| Molceule ID (DB) | EGIN0001418 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 15r compound |
| IUPAC Name | (3R,5S)-5-[2-(4-{[1-(thiophene-2-sulfonyl)-1H-indol-5-yl]amino}thieno[3,2-d]pyrimidin-6-yl)ethynyl]pyrrolidin-3-yl morpholine-4-carboxylate |
| Formula | C29H26N6O5S3 |
| Mass | 634.749 |
| Exact Mass | 634.11268 |
| Composition | C (54.87%), H (4.13%), N (13.24%), O (12.6%), S (15.15%) |
| Atom Count | 69 |
| PI | 11.2 |
| Smiles | n1cnc2c(c1Nc1ccc3c(c1)ccn3S(=O)(=O)c1sccc1)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N1CCOCC1 |
| InChI | 1S/C29H26N6O5S3/c36-29(34-9-11-39-12-10-34)40-22-15-20(30-17-22)3-5-23-16-24-27(42-23)28(32-18-31-24
)33-21-4-6-25-19(14-21)7-8-35(25)43(37,38)26-2-1-13-41-26/h1-2,4,6-8,13-14,16,18,20,22,30H,9-12,15,1
7H2,(H,31,32,33)/t20-,22-/m1/s1 |
| InChIKey | ZFBVZPNEZMXKOV-IFMALSPDSA-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 | 25067679 |
| ChEMBL Link | CHEMBL452768 |
