| General Property |
| Molceule ID (DB) | EGIN0005020 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 1a |
| IUPAC Name | N-[2-[4-[3-chloro-4-[3-(trifluoromethyl)phenoxy]anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2-propan-2-ylsulfonylacetamide |
| Formula | C24H21ClF3N5O4S |
| Mass | 567.968 |
| Exact Mass | 567.095487197 |
| Composition | C (50.75%), H (3.73%), Cl (6.24%), F (10.03%), N (12.33%), O (11.27%), S (5.65%) |
| Atom Count | 59 |
| PI | 7.1 |
| Smiles | CC(C)S(=O)(=O)CC(=O)NCCN1C=CC2=C1C(=NC=N2)NC3=CC(=C(C=C3)OC4=CC=CC(=C4)C(F)(F)F)Cl |
| InChI | 1S/C26H25ClF3N5O4S/c1-16(2)40(37,38)14-23(36)31-9-11-35-10-8-21-24(35)25(33-15-32-21)34-18-6-7-22(20
(27)13-18)39-19-5-3-4-17(12-19)26(28,29)30/h3-8,10,12-13,15-16H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34
) |
| InChIKey | FTBHGTXTGYLDBW-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 |
57597223
|
| Drug Bank Link | - |
| ChemSpider Link | 9852923 |
| ChEMBL Link | CHEMBL2148050 |
