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 | ![](./image/EGIN0001441.png) | Structure Backbone | ![](./frame/f_EGIN0001441.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 |
44571414
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Drug Bank Link | - |
ChemSpider Link | 24696579 |
ChEMBL Link | CHEMBL475599 |