| General Property |
| Molceule ID (DB) | EGIN0001466 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 23 compound |
| IUPAC Name | 1-[(3-fluorophenyl)methyl]-N-(5-{[(3S)-piperidin-3-ylmethoxy]methyl}pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1H-indazol-5-amine |
| Formula | C27H28FN7O |
| Mass | 485.5559 |
| Exact Mass | 485.2339368 |
| Composition | C (66.79%), H (5.81%), F (3.91%), N (20.19%), O (3.3%) |
| Atom Count | 64 |
| PI | 12.36 |
| Smiles | [C@H]1(CNCCC1)COCc1c2c(ncnn2cc1)Nc1ccc2c(c1)cnn2Cc1cccc(c1)F |
| InChI | 1S/C27H28FN7O/c28-23-5-1-3-19(11-23)15-35-25-7-6-24(12-22(25)14-31-35)33-27-26-21(8-10-34(26)32-18-3
0-27)17-36-16-20-4-2-9-29-13-20/h1,3,5-8,10-12,14,18,20,29H,2,4,9,13,15-17H2,(H,30,32,33)/t20-/m0/s1 |
| InChIKey | APCFVCIEZAMJBU-FQEVSTJZSA-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 |
44440831
|
| Drug Bank Link | - |
| ChemSpider Link | 23305114 |
| ChEMBL Link | CHEMBL246073 |
