| General Property |
| Molceule ID (DB) | EGIN0005026 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 1c |
| IUPAC Name | N-[2-[4-[3-chloro-4-[3-(trifluoromethyl)phenoxy]anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2-methyl-2-methylsulfonylpropanamide |
| Formula | C26H25ClF3N5O4S |
| Mass | 596.021 |
| Exact Mass | 595.126787325 |
| Composition | C (52.39%), H (4.23%), Cl (5.95%), F (9.56%), N (11.75%), O (10.74%), S (5.38%) |
| Atom Count | 65 |
| PI | 9.98 |
| Smiles | CC(C)(C(=O)NCCN1C=CC2=C1C(=NC=N2)NC3=CC(=C(C=C3)OC4=CC=CC(=C4)C(F)(F)F)Cl)S(=O)(=O)C |
| InChI | 1S/C26H25ClF3N5O4S/c1-25(2,40(3,37)38)24(36)31-10-12-35-11-9-20-22(35)23(33-15-32-20)34-17-7-8-21(19
(27)14-17)39-18-6-4-5-16(13-18)26(28,29)30/h4-9,11,13-15H,10,12H2,1-3H3,(H,31,36)(H,32,33,34) |
| InChIKey | GCMJIBUKSLVDKY-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 | 22980219 |
| 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 |
57597316
|
| Drug Bank Link | - |
| ChemSpider Link | 10762174 |
| ChEMBL Link | CHEMBL2087361 |
