| General Property |
| Molceule ID (DB) | EGIN0002539 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 8c compound |
| IUPAC Name | 1-{[4-(phenylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl}piperidin-4-amine |
| Formula | C18H22N6 |
| Mass | 322.4075 |
| Exact Mass | 322.1905947 |
| Composition | C (67.06%), H (6.88%), N (26.07%) |
| Atom Count | 46 |
| PI | 12.71 |
| Smiles | n1cnc(c2n1ccc2CN1CC[C@H](CC1)N)Nc1ccccc1 |
| InChI | 1S/C18H22N6/c19-15-7-9-23(10-8-15)12-14-6-11-24-17(14)18(20-13-21-24)22-16-4-2-1-3-5-16/h1-6,11,13,1
5H,7-10,12,19H2,(H,20,21,22) |
| InChIKey | JPKXJWBKGYESKN-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 | 21177105 |
| 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 |
11220978
|
| Drug Bank Link | - |
| ChemSpider Link | 9396032 |
| ChEMBL Link | CHEMBL1645467 |
