| General Property |
| Molceule ID (DB) | EGIN0005021 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 1d |
| IUPAC Name | N-[2-[4-[3-chloro-4-[3-(trifluoromethyl)phenoxy]anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-2-ethylsulfonylacetamide |
| Formula | C25H23ClF3N5O4S |
| Mass | 581.994 |
| Exact Mass | 581.111137261 |
| Composition | C (51.59%), H (3.98%), Cl (6.09%), F (9.79%), N (12.03%), O (11%), S (5.51%) |
| Atom Count | 62 |
| PI | 7.09 |
| Smiles | CCS(=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/C25H23ClF3N5O4S/c1-2-39(36,37)14-22(35)30-9-11-34-10-8-20-23(34)24(32-15-31-20)33-17-6-7-21(19(26
)13-17)38-18-5-3-4-16(12-18)25(27,28)29/h3-8,10,12-13,15H,2,9,11,14H2,1H3,(H,30,35)(H,31,32,33) |
| InChIKey | VGJRVAUEDBYNMP-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 |
71449341
|
| Drug Bank Link | - |
| ChemSpider Link | 28645989 |
| ChEMBL Link | CHEMBL2148051 |
