| General Property |
| Molceule ID (DB) | EGIN0001459 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 16 compound |
| IUPAC Name | 2-{[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methoxy}acetamide |
| Formula | C23H20FN7O2 |
| Mass | 445.449 |
| Exact Mass | 445.1662511 |
| Composition | C (62.02%), H (4.53%), F (4.27%), N (22.01%), O (7.18%) |
| Atom Count | 53 |
| PI | 8.32 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)c(cc2)COCC(=O)N |
| InChI | 1S/C23H20FN7O2/c24-18-3-1-2-15(8-18)11-31-20-5-4-19(9-17(20)10-27-31)29-23-22-16(12-33-13-21(25)32)6
-7-30(22)28-14-26-23/h1-10,14H,11-13H2,(H2,25,32)(H,26,28,29) |
| InChIKey | MEHRBVQTOVMMDP-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 | 17270437 |
| 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 |
44440826
|
| Drug Bank Link | - |
| ChemSpider Link | 23305109 |
| ChEMBL Link | CHEMBL246694 |
