| General Property |
| Molceule ID (DB) | EGIN0004625 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 12r |
| IUPAC Name | 2-{2-[4-({5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridin-3-yl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy}ethan-1-ol |
| Formula | C22H19ClF3N5O3 |
| Mass | 493.866 |
| Exact Mass | 493.1128518 |
| Composition | C (53.5%), H (3.88%), Cl (7.18%), F (11.54%), N (14.18%), O (9.72%) |
| Atom Count | 53 |
| PI | 10.01 |
| Smiles | c1(c2n(ccc2ncn1)CCOCCO)Nc1cnc(c(c1)Cl)Oc1cccc(c1)C(F)(F)F |
| InChI | 1S/C22H19ClF3N5O3/c23-17-11-15(12-27-21(17)34-16-3-1-2-14(10-16)22(24,25)26)30-20-19-18(28-13-29-20)
4-5-31(19)6-8-33-9-7-32/h1-5,10-13,32H,6-9H2,(H,28,29,30) |
| InChIKey | XPUIECRALWERTL-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 |
16736274
|
| Drug Bank Link | - |
| ChemSpider Link | 20567729 |
| ChEMBL Link | CHEMBL1614726 |
