| General Property |
| Molceule ID (DB) | EGIN0004720 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 20 |
| IUPAC Name | 2-({2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}amino)ethan-1-ol |
| Formula | C23H21ClF3N5O2 |
| Mass | 491.893 |
| Exact Mass | 491.1335873 |
| Composition | C (56.16%), H (4.3%), Cl (7.21%), F (11.59%), N (14.24%), O (6.51%) |
| Atom Count | 55 |
| PI | 12.5 |
| Smiles | c1(c2n(ccc2ncn1)CCNCCO)Nc1ccc(c(c1)Cl)Oc1cccc(c1)C(F)(F)F |
| InChI | 1S/C23H21ClF3N5O2/c24-18-13-16(4-5-20(18)34-17-3-1-2-15(12-17)23(25,26)27)31-22-21-19(29-14-30-22)6-
9-32(21)10-7-28-8-11-33/h1-6,9,12-14,28,33H,7-8,10-11H2,(H,29,30,31) |
| InChIKey | ABLXXKUDDSMAHU-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 |
56850930
|
| Drug Bank Link | - |
| ChemSpider Link | 28423601 |
| ChEMBL Link | CHEMBL1923013 |
