| General Property |
| Molceule ID (DB) | EGIN0001422 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 15v compound |
| IUPAC Name | (3R,5S)-5-(2-{4-[(1-benzyl-3-fluoro-1H-indol-5-yl)amino]thieno[3,2-d]pyrimidin-6-yl}ethynyl)pyrrolidin-3-yl morpholine-4-carboxylate |
| Formula | C32H29FN6O3S |
| Mass | 596.674 |
| Exact Mass | 596.2005877 |
| Composition | C (64.41%), H (4.9%), F (3.18%), N (14.08%), O (8.04%), S (5.37%) |
| Atom Count | 72 |
| PI | 11.12 |
| Smiles | n1cnc2c(c1Nc1ccc3c(c1)c(cn3Cc1ccccc1)F)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)N1CCOCC1 |
| InChI | 1S/C32H29FN6O3S/c33-27-19-39(18-21-4-2-1-3-5-21)29-9-7-23(15-26(27)29)37-31-30-28(35-20-36-31)16-25(
43-30)8-6-22-14-24(17-34-22)42-32(40)38-10-12-41-13-11-38/h1-5,7,9,15-16,19-20,22,24,34H,10-14,17-18
H2,(H,35,36,37)/t22-,24-/m1/s1 |
| InChIKey | VURXMUNOWCBINZ-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 23335706 |
| ChEMBL Link | CHEMBL452980 |
