General Property |
Molceule ID (DB) | EGIN0004626 |
Inhibitor Class | Pyrrolo-pyrimidine |
Molecule Name in Refrence Article | 12l |
IUPAC Name | 2-{2-[4-({3-chloro-4-[3-(trifluoromethoxy)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy}ethan-1-ol |
Formula | C23H20ClF3N4O4 |
Mass | 508.878 |
Exact Mass | 508.1125175 |
Composition | C (54.29%), H (3.96%), Cl (6.97%), F (11.2%), N (11.01%), O (12.58%) |
Atom Count | 55 |
PI | 10.33 |
Smiles | c1(c2n(ccc2ncn1)CCOCCO)Nc1ccc(c(c1)Cl)Oc1cccc(c1)OC(F)(F)F |
InChI | 1S/C23H20ClF3N4O4/c24-18-12-15(4-5-20(18)34-16-2-1-3-17(13-16)35-23(25,26)27)30-22-21-19(28-14-29-22
)6-7-31(21)8-10-33-11-9-32/h1-7,12-14,32H,8-11H2,(H,28,29,30) |
InChIKey | ZYVUNNQGVXTJSW-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004626.png) | Structure Backbone | ![](./frame/f_EGIN0004626.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 | 22003817 |
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 |
56849704
|
Drug Bank Link | - |
ChemSpider Link | 28481371 |
ChEMBL Link | CHEMBL1923011 |