| General Property |
| Molceule ID (DB) | EGIN0002542 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 8f compound |
| IUPAC Name | 1-({4-[(3-methylphenyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl}methyl)piperidin-4-amine |
| Formula | C19H24N6 |
| Mass | 336.4341 |
| Exact Mass | 336.2062448 |
| Composition | C (67.83%), H (7.19%), N (24.98%) |
| Atom Count | 49 |
| PI | 12.76 |
| Smiles | n1cnc(c2n1ccc2CN1CC[C@H](CC1)N)Nc1cccc(c1)C |
| InChI | 1S/C19H24N6/c1-14-3-2-4-17(11-14)23-19-18-15(5-10-25(18)22-13-21-19)12-24-8-6-16(20)7-9-24/h2-5,10-1
1,13,16H,6-9,12,20H2,1H3,(H,21,22,23) |
| InChIKey | LXGQRZKYRSBDJV-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 |
21874287
|
| Drug Bank Link | - |
| ChemSpider Link | 10620634 |
| ChEMBL Link | CHEMBL1645470 |
