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 | |
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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 | 24695720 |
ChEMBL Link | CHEMBL473429 |