| General Property |
| Molceule ID (DB) | EGIN0001458 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 15 compound |
| IUPAC Name | methyl 2-{[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methoxy}acetate |
| Formula | C24H21FN6O3 |
| Mass | 460.4603 |
| Exact Mass | 460.1659168 |
| Composition | C (62.6%), H (4.6%), F (4.13%), N (18.25%), O (10.42%) |
| Atom Count | 55 |
| PI | 8.42 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)c(cc2)COCC(=O)OC |
| InChI | 1S/C24H21FN6O3/c1-33-22(32)14-34-13-17-7-8-30-23(17)24(26-15-28-30)29-20-5-6-21-18(10-20)11-27-31(21
)12-16-3-2-4-19(25)9-16/h2-11,15H,12-14H2,1H3,(H,26,28,29) |
| InChIKey | AYUJWVQYAUDNQZ-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 |
44440824
|
| Drug Bank Link | - |
| ChemSpider Link | 23305107 |
| ChEMBL Link | CHEMBL246491 |
