| General Property |
| Molceule ID (DB) | EGIN0001457 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 14 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}acetic acid |
| Formula | C23H19FN6O3 |
| Mass | 446.4338 |
| Exact Mass | 446.1502667 |
| Composition | C (61.88%), H (4.29%), F (4.26%), N (18.82%), O (10.75%) |
| Atom Count | 52 |
| PI | 2.72 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)c(cc2)COCC(=O)O |
| InChI | 1S/C23H19FN6O3/c24-18-3-1-2-15(8-18)11-30-20-5-4-19(9-17(20)10-26-30)28-23-22-16(12-33-13-21(31)32)6
-7-29(22)27-14-25-23/h1-10,14H,11-13H2,(H,31,32)(H,25,27,28) |
| InChIKey | QKLWVDQKXUTTEU-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 |
44440823
|
| Drug Bank Link | - |
| ChemSpider Link | 23305106 |
| ChEMBL Link | CHEMBL394057 |
