General Property |
Molceule ID (DB) | EGIN0004648 |
Inhibitor Class | Pyrrolo-pyrimidine |
Molecule Name in Refrence Article | 49 |
IUPAC Name | 4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidine-6-carbonitrile |
Formula | C24H19ClF3N5O3 |
Mass | 517.888 |
Exact Mass | 517.1128518 |
Composition | C (55.66%), H (3.7%), Cl (6.85%), F (11.01%), N (13.52%), O (9.27%) |
Atom Count | 55 |
PI | 8.74 |
Smiles | c1(c2n(c(cc2ncn1)C#N)CCOCCO)Nc1ccc(c(c1)Cl)Oc1cccc(c1)C(F)(F)F |
InChI | 1S/C24H19ClF3N5O3/c25-19-11-16(4-5-21(19)36-18-3-1-2-15(10-18)24(26,27)28)32-23-22-20(30-14-31-23)12
-17(13-29)33(22)6-8-35-9-7-34/h1-5,10-12,14,34H,6-9H2,(H,30,31,32) |
InChIKey | WTCWMZHEAXFWPJ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004648.png) | Structure Backbone | ![](./frame/f_EGIN0004648.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 |
56851288
|
Drug Bank Link | - |
ChemSpider Link | 28423693 |
ChEMBL Link | CHEMBL1923018 |