| General Property |
| Molceule ID (DB) | EGIN0004883 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | SYR127063 |
| IUPAC Name | 2-[2-(4-{[(3S,4S)-3-chloro-4-[3-(trifluoromethyl)phenoxy]cyclohexa-1,5-dien-1-yl]amino}-5H-pyrrolo[3,2-d]pyrimidin-5-yl)ethoxy]ethan-1-ol |
| Formula | C23H22ClF3N4O3 |
| Mass | 494.894 |
| Exact Mass | 494.1332529 |
| Composition | C (55.82%), H (4.48%), Cl (7.16%), F (11.52%), N (11.32%), O (9.7%) |
| Atom Count | 56 |
| PI | 10.36 |
| Smiles | c1(cc(ccc1)O[C@@H]1[C@@H](Cl)C=C(C=C1)Nc1ncnc2c1n(cc2)CCOCCO)C(F)(F)F |
| InChI | 1S/C23H22ClF3N4O3/c24-18-13-16(4-5-20(18)34-17-3-1-2-15(12-17)23(25,26)27)30-22-21-19(28-14-29-22)6-
7-31(21)8-10-33-11-9-32/h1-7,12-14,18,20,32H,8-11H2,(H,28,29,30)/t18-,20-/m0/s1 |
| InChIKey | VJKPPJWPHHJIBV-ICSRJNTNSA-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 | 21454582 |
| 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 |
15305272
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
