| General Property |
| Molceule ID (DB) | EGIN0002546 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 8j compound |
| IUPAC Name | 1-({4-[(3-bromophenyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl}methyl)piperidin-4-amine |
| Formula | C18H21BrN6 |
| Mass | 401.304 |
| Exact Mass | 400.1011073 |
| Composition | C (53.87%), H (5.27%), Br (19.91%), N (20.94%) |
| Atom Count | 46 |
| PI | 12.53 |
| Smiles | n1cnc(c2n1ccc2CN1CC[C@H](CC1)N)Nc1cccc(c1)Br |
| InChI | 1S/C18H21BrN6/c19-14-2-1-3-16(10-14)23-18-17-13(4-9-25(17)22-12-21-18)11-24-7-5-15(20)6-8-24/h1-4,9-
10,12,15H,5-8,11,20H2,(H,21,22,23) |
| InChIKey | DJURWFMQIHTKEM-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 |
21874410
|
| Drug Bank Link | - |
| ChemSpider Link | 10620749 |
| ChEMBL Link | CHEMBL1645474 |
