| General Property |
| Molceule ID (DB) | EGIN0004638 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 2 |
| IUPAC Name | 2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethan-1-ol |
| Formula | C21H16ClF3N4O2 |
| Mass | 448.826 |
| Exact Mass | 448.0913881 |
| Composition | C (56.2%), H (3.59%), Cl (7.9%), F (12.7%), N (12.48%), O (7.13%) |
| Atom Count | 47 |
| PI | 10.47 |
| Smiles | c1(c2n(ccc2ncn1)CCO)Nc1ccc(c(c1)Cl)Oc1cccc(c1)C(F)(F)F |
| InChI | 1S/C21H16ClF3N4O2/c22-16-11-14(28-20-19-17(26-12-27-20)6-7-29(19)8-9-30)4-5-18(16)31-15-3-1-2-13(10-
15)21(23,24)25/h1-7,10-12,30H,8-9H2,(H,26,27,28) |
| InChIKey | FLFHZVYTVPANLR-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 | 22439974 | 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 |
56849701
|
| Drug Bank Link | - |
| ChemSpider Link | 28481368 |
| ChEMBL Link | CHEMBL1923007 |
