| General Property |
| Molceule ID (DB) | EGIN0004419 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 8j |
| IUPAC Name | N-{3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}-5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
| Formula | C20H14ClF3N4O |
| Mass | 418.8 |
| Exact Mass | 418.0808234 |
| Composition | C (57.36%), H (3.37%), Cl (8.47%), F (13.61%), N (13.38%), O (3.82%) |
| Atom Count | 43 |
| PI | 10.9 |
| Smiles | c1(c2n(ccc2ncn1)C)Nc1ccc(c(c1)Cl)Oc1cccc(c1)C(F)(F)F |
| InChI | 1S/C20H14ClF3N4O/c1-28-8-7-16-18(28)19(26-11-25-16)27-13-5-6-17(15(21)10-13)29-14-4-2-3-12(9-14)20(2
2,23)24/h2-11H,1H3,(H,25,26,27) |
| InChIKey | RWQIOAPAHWFTMQ-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 |
56849560
|
| Drug Bank Link | - |
| ChemSpider Link | 28481050 |
| ChEMBL Link | CHEMBL1923004 |
