| General Property |
| Molceule ID (DB) | EGIN0001427 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 21 compound |
| IUPAC Name | 2-[({5-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]furan-2-yl}methyl)amino]acetonitrile |
| Formula | C26H19ClFN5O2S |
| Mass | 519.978 |
| Exact Mass | 519.0932015 |
| Composition | C (60.06%), H (3.68%), Cl (6.82%), F (3.65%), N (13.47%), O (6.15%), S (6.17%) |
| Atom Count | 55 |
| PI | 9.38 |
| Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c2c(ncn1)cc(s2)c1ccc(o1)CNCC#N |
| InChI | 1S/C26H19ClFN5O2S/c27-20-11-18(4-6-22(20)34-14-16-2-1-3-17(28)10-16)33-26-25-21(31-15-32-26)12-24(36
-25)23-7-5-19(35-23)13-30-9-8-29/h1-7,10-12,15,30H,9,13-14H2,(H,31,32,33) |
| InChIKey | NXSMOWZBERTEAU-UHFFFAOYSA-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 | 19111461 |
| 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 | 24695720 |
| ChEMBL Link | CHEMBL473429 |
