| General Property |
| Molceule ID (DB) | EGIN0004672 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 30 |
| IUPAC Name | 2-({2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}sulfonyl)ethan-1-ol |
| Formula | C23H20ClF3N4O4S |
| Mass | 540.943 |
| Exact Mass | 540.0845882 |
| Composition | C (51.07%), H (3.73%), Cl (6.55%), F (10.54%), N (10.36%), O (11.83%), S (5.93%) |
| Atom Count | 56 |
| PI | 10.22 |
| Smiles | c1(c2n(ccc2ncn1)CCS(=O)(=O)CCO)Nc1ccc(c(c1)Cl)Oc1cccc(c1)C(F)(F)F |
| InChI | 1S/C23H20ClF3N4O4S/c24-18-13-16(4-5-20(18)35-17-3-1-2-15(12-17)23(25,26)27)30-22-21-19(28-14-29-22)6
-7-31(21)8-10-36(33,34)11-9-32/h1-7,12-14,32H,8-11H2,(H,28,29,30) |
| InChIKey | YROLHQZDEFQCCR-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 |
56851053
|
| Drug Bank Link | - |
| ChemSpider Link | 28423599 |
| ChEMBL Link | CHEMBL1923016 |
