| General Property |
| Molceule ID (DB) | EGIN0001445 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 39 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}-1H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-4-amine |
| Formula | C27H25ClFN5O3S2 |
| Mass | 586.101 |
| Exact Mass | 585.107137 |
| Composition | C (55.33%), H (4.3%), Cl (6.05%), F (3.24%), N (11.95%), O (8.19%), S (10.94%) |
| Atom Count | 64 |
| PI | 11.19 |
| Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c2c(ncn1)sc(c2)c1ccc([nH]1)CNCCS(=O)(=O)C |
| InChI | 1S/C27H25ClFN5O3S2/c1-39(35,36)10-9-30-14-20-5-7-23(33-20)25-13-21-26(31-16-32-27(21)38-25)34-19-6-8
-24(22(28)12-19)37-15-17-3-2-4-18(29)11-17/h2-8,11-13,16,30,33H,9-10,14-15H2,1H3,(H,31,32,34) |
| InChIKey | YCHMPCBHRODLET-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 |
44528930
|
| Drug Bank Link | - |
| ChemSpider Link | 24575555 |
| ChEMBL Link | CHEMBL481331 |
