| General Property |
| Molceule ID (DB) | EGIN0004757 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 15 |
| IUPAC Name | 5-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]pentan-1-ol |
| Formula | C24H22ClF3N4O2 |
| Mass | 490.905 |
| Exact Mass | 490.1383383 |
| Composition | C (58.72%), H (4.52%), Cl (7.22%), F (11.61%), N (11.41%), O (6.52%) |
| Atom Count | 56 |
| PI | 10.82 |
| Smiles | c1(c2n(ccc2ncn1)CCCCCO)Nc1ccc(c(c1)Cl)Oc1cccc(c1)C(F)(F)F |
| InChI | 1S/C24H22ClF3N4O2/c25-19-14-17(7-8-21(19)34-18-6-4-5-16(13-18)24(26,27)28)31-23-22-20(29-15-30-23)9-
11-32(22)10-2-1-3-12-33/h4-9,11,13-15,33H,1-3,10,12H2,(H,29,30,31) |
| InChIKey | MHJBSGVISQZKDI-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 |
56850806
|
| Drug Bank Link | - |
| ChemSpider Link | 28423703 |
| ChEMBL Link | CHEMBL1923012 |
