General Property |
Molceule ID (DB) | EGIN0001439 |
Inhibitor Class | Thieno-pyrimidine |
Molecule Name in Refrence Article | 33 compound |
IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4-amine |
Formula | C23H15ClFN3OS2 |
Mass | 467.966 |
Exact Mass | 467.0329094 |
Composition | C (59.03%), H (3.23%), Cl (7.58%), F (4.06%), N (8.98%), O (3.42%), S (13.7%) |
Atom Count | 46 |
PI | 9.29 |
Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c2c(ncn1)sc(c2)c1cccs1 |
InChI | 1S/C23H15ClFN3OS2/c24-18-10-16(6-7-19(18)29-12-14-3-1-4-15(25)9-14)28-22-17-11-21(20-5-2-8-30-20)31-
23(17)27-13-26-22/h1-11,13H,12H2,(H,26,27,28) |
InChIKey | PBIJKZCHYCDPPC-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001439.png) | Structure Backbone | ![](./frame/f_EGIN0001439.png) |
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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 |
44571453
|
Drug Bank Link | - |
ChemSpider Link | 24714009 |
ChEMBL Link | CHEMBL506414 |