General Property |
Molceule ID (DB) | EGIN0001429 |
Inhibitor Class | Thieno-pyrimidine |
Molecule Name in Refrence Article | 23 compound |
IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-3-yl)thieno[3,2-d]pyrimidin-4-amine |
Formula | C27H24ClFN4O4S2 |
Mass | 587.085 |
Exact Mass | 586.0911526 |
Composition | C (55.24%), H (4.12%), Cl (6.04%), F (3.24%), N (9.54%), O (10.9%), S (10.92%) |
Atom Count | 63 |
PI | 10.89 |
Smiles | c1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c2c(ncn1)cc(s2)c1coc(c1)CNCCS(=O)(=O)C |
InChI | 1S/C27H24ClFN4O4S2/c1-39(34,35)8-7-30-13-21-10-18(15-36-21)25-12-23-26(38-25)27(32-16-31-23)33-20-5-
6-24(22(28)11-20)37-14-17-3-2-4-19(29)9-17/h2-6,9-12,15-16,30H,7-8,13-14H2,1H3,(H,31,32,33) |
InChIKey | CREMXLIEDCOOOC-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001429.png) | Structure Backbone | ![](./frame/f_EGIN0001429.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 |
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Drug Bank Link | - |
ChemSpider Link | 24656564 |
ChEMBL Link | CHEMBL475769 |