| General Property |
| Molceule ID (DB) | EGIN0005024 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | A |
| IUPAC Name | N-[2-[4-[3-chloro-4-[3-(trifluoromethyl)phenoxy]anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-3-hydroxy-3-methylbutanamide |
| Formula | C26H25ClF3N5O3 |
| Mass | 547.957 |
| Exact Mass | 547.159802013 |
| Composition | C (56.99%), H (4.6%), Cl (6.47%), F (10.4%), N (12.78%), O (8.76%) |
| Atom Count | 63 |
| PI | 10.11 |
| Smiles | CC(C)(CC(=O)NCCN1C=CC2=C1C(=NC=N2)NC3=CC(=C(C=C3)OC4=CC=CC(=C4)C(F)(F)F)Cl)O |
| InChI | 1S/C26H25ClF3N5O3/c1-25(2,37)14-22(36)31-9-11-35-10-8-20-23(35)24(33-15-32-20)34-17-6-7-21(19(27)13-
17)38-18-5-3-4-16(12-18)26(28,29)30/h3-8,10,12-13,15,37H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34) |
| InChIKey | ZYQXEVJIFYIBHZ-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 |
11620908
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
