| General Property |
| Molceule ID (DB) | EGIN0001441 |
| Inhibitor Class | Thieno-pyrimidine |
| Molecule Name in Refrence Article | 35 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}thiophen-3-yl)thieno[2,3-d]pyrimidin-4-amine |
| Formula | C27H24ClFN4O3S3 |
| Mass | 603.151 |
| Exact Mass | 602.0683086 |
| Composition | C (53.77%), H (4.01%), Cl (5.88%), F (3.15%), N (9.29%), O (7.96%), S (15.95%) |
| Atom Count | 63 |
| PI | 11.69 |
| Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c2c(ncn1)sc(c2)c1csc(c1)CNCCS(=O)(=O)C |
| InChI | 1S/C27H24ClFN4O3S3/c1-39(34,35)8-7-30-13-21-10-18(15-37-21)25-12-22-26(31-16-32-27(22)38-25)33-20-5-
6-24(23(28)11-20)36-14-17-3-2-4-19(29)9-17/h2-6,9-12,15-16,30H,7-8,13-14H2,1H3,(H,31,32,33) |
| InChIKey | NXPQOKLTKBGJEH-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 |
44571414
|
| Drug Bank Link | - |
| ChemSpider Link | 24696579 |
| ChEMBL Link | CHEMBL475599 |
