| General Property |
| Molceule ID (DB) | EGIN0001363 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 8a compound |
| IUPAC Name | 1-{[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl}piperidin-4-amine |
| Formula | C25H26ClFN6O |
| Mass | 480.965 |
| Exact Mass | 480.1840654 |
| Composition | C (62.43%), H (5.45%), Cl (7.37%), F (3.95%), N (17.47%), O (3.33%) |
| Atom Count | 60 |
| PI | 12.74 |
| Smiles | n1cnn2c(c1Nc1ccc(c(c1)Cl)OCc1cccc(c1)F)c(cc2)CN1CC[C@H](CC1)N |
| InChI | 1S/C25H26ClFN6O/c26-22-13-21(4-5-23(22)34-15-17-2-1-3-19(27)12-17)31-25-24-18(6-11-33(24)30-16-29-25
)14-32-9-7-20(28)8-10-32/h1-6,11-13,16,20H,7-10,14-15,28H2,(H,29,30,31) |
| InChIKey | ZZRGSHVUZJRFKX-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 |
11698674
|
| Drug Bank Link | - |
| ChemSpider Link | 9873399 |
| ChEMBL Link | CHEMBL247710 |
