| 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 |  | Structure Backbone |  |
|
| 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 |
