| General Property |
| Molceule ID (DB) | EGIN0004418 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 8l |
| IUPAC Name | N-{3-chloro-4-[3-(trifluoromethoxy)phenoxy]phenyl}-5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
| Formula | C20H14ClF3N4O2 |
| Mass | 434.799 |
| Exact Mass | 434.075738 |
| Composition | C (55.25%), H (3.25%), Cl (8.15%), F (13.11%), N (12.89%), O (7.36%) |
| Atom Count | 44 |
| PI | 10.9 |
| Smiles | c1(c2n(ccc2ncn1)C)Nc1ccc(c(c1)Cl)Oc1cccc(c1)OC(F)(F)F |
| InChI | 1S/C20H14ClF3N4O2/c1-28-8-7-16-18(28)19(26-11-25-16)27-12-5-6-17(15(21)9-12)29-13-3-2-4-14(10-13)30-
20(22,23)24/h2-11H,1H3,(H,25,26,27) |
| InChIKey | QFMCOTDYFYKZNH-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 |
56849562
|
| Drug Bank Link | - |
| ChemSpider Link | 28481051 |
| ChEMBL Link | CHEMBL1923005 |
