General Property |
Molceule ID (DB) | EGIN0001593 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 14 compound |
IUPAC Name | (3R,5R)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl N-ethylcarbamate |
Formula | C28H25ClFN5O3S |
Mass | 566.046 |
Exact Mass | 565.1350663 |
Composition | C (59.41%), H (4.45%), Cl (6.26%), F (3.36%), N (12.37%), O (8.48%), S (5.66%) |
Atom Count | 64 |
PI | 11.42 |
Smiles | n1cnc2c(c1Nc1ccc(c(c1)Cl)OCc1cccc(c1)F)sc(c2)C#C[C@@H]1NC[C@@H](C1)OC(=O)NCC |
InChI | 1S/C28H25ClFN5O3S/c1-2-31-28(36)38-21-11-19(32-14-21)6-8-22-13-24-26(39-22)27(34-16-33-24)35-20-7-9-
25(23(29)12-20)37-15-17-4-3-5-18(30)10-17/h3-5,7,9-10,12-13,16,19,21,32H,2,11,14-15H2,1H3,(H,31,36)(
H,33,34,35)/t19-,21+/m0/s1 |
InChIKey | IYINYGZMZPUBOK-PZJWPPBQSA-N |
2D Structure | ![](./image/EGIN0001593.png) | Structure Backbone | ![](./frame/f_EGIN0001593.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 | 19028424 |
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 |
25263279
|
Drug Bank Link | - |
ChemSpider Link | 23344725 |
ChEMBL Link | CHEMBL466174 |