| General Property |
| Molceule ID (DB) | EGIN0001372 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 8g compound |
| IUPAC Name | 1-{[4-({3-chloro-4-[(5-methylpyridin-3-yl)methoxy]phenyl}amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl}piperidin-4-amine |
| Formula | C25H28ClN7O |
| Mass | 477.989 |
| Exact Mass | 477.2043863 |
| Composition | C (62.82%), H (5.9%), Cl (7.42%), N (20.51%), O (3.35%) |
| Atom Count | 62 |
| PI | 12.74 |
| Smiles | n1cnn2c(c1Nc1ccc(c(c1)Cl)OCc1cc(cnc1)C)c(cc2)CN1CC[C@H](CC1)N |
| InChI | 1S/C25H28ClN7O/c1-17-10-18(13-28-12-17)15-34-23-3-2-21(11-22(23)26)31-25-24-19(4-9-33(24)30-16-29-25
)14-32-7-5-20(27)6-8-32/h2-4,9-13,16,20H,5-8,14-15,27H2,1H3,(H,29,30,31) |
| InChIKey | NUJUYKXECYPXAW-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 | 17606372 |
| 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 |
22055240
|
| Drug Bank Link | - |
| ChemSpider Link | 10805093 |
| ChEMBL Link | CHEMBL248115 |
