| General Property |
| Molceule ID (DB) | EGIN0004654 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 40 |
| IUPAC Name | 2-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-6-methyl-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy}ethan-1-ol |
| Formula | C24H22ClF3N4O3 |
| Mass | 506.905 |
| Exact Mass | 506.1332529 |
| Composition | C (56.87%), H (4.37%), Cl (6.99%), F (11.24%), N (11.05%), O (9.47%) |
| Atom Count | 57 |
| PI | 10.21 |
| Smiles | c1(c2n(c(cc2ncn1)C)CCOCCO)Nc1ccc(c(c1)Cl)Oc1cccc(c1)C(F)(F)F |
| InChI | 1S/C24H22ClF3N4O3/c1-15-11-20-22(32(15)7-9-34-10-8-33)23(30-14-29-20)31-17-5-6-21(19(25)13-17)35-18-
4-2-3-16(12-18)24(26,27)28/h2-6,11-14,33H,7-10H2,1H3,(H,29,30,31) |
| InChIKey | MCEJMTKEBSFUJK-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 |
56851166
|
| Drug Bank Link | - |
| ChemSpider Link | 28423704 |
| ChEMBL Link | CHEMBL1923017 |
