General Property |
Molceule ID (DB) | EGIN0001432 |
Inhibitor Class | Thieno-pyrimidine |
Molecule Name in Refrence Article | 26 compound |
IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(1H-pyrrol-2-yl)thieno[3,2-d]pyrimidin-4-amine |
Formula | C23H16ClFN4OS |
Mass | 450.916 |
Exact Mass | 450.0717378 |
Composition | C (61.26%), H (3.58%), Cl (7.86%), F (4.21%), N (12.43%), O (3.55%), S (7.11%) |
Atom Count | 47 |
PI | 8.67 |
Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c2c(ncn1)cc(s2)c1ccc[nH]1 |
InChI | 1S/C23H16ClFN4OS/c24-17-10-16(6-7-20(17)30-12-14-3-1-4-15(25)9-14)29-23-22-19(27-13-28-23)11-21(31-2
2)18-5-2-8-26-18/h1-11,13,26H,12H2,(H,27,28,29) |
InChIKey | WVBOSBMDZYIKPK-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 |
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Drug Bank Link | - |
ChemSpider Link | 24695868 |
ChEMBL Link | CHEMBL473436 |