| General Property |
| Molceule ID (DB) | EGIN0002547 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 8k compound |
| IUPAC Name | 1-({4-[(3,5-dichlorophenyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl}methyl)piperidin-4-amine |
| Formula | C18H20Cl2N6 |
| Mass | 391.298 |
| Exact Mass | 390.1126501 |
| Composition | C (55.25%), H (5.15%), Cl (18.12%), N (21.48%) |
| Atom Count | 46 |
| PI | 12.27 |
| Smiles | n1cnc(c2n1ccc2CN1CC[C@H](CC1)N)Nc1cc(cc(c1)Cl)Cl |
| InChI | 1S/C18H20Cl2N6/c19-13-7-14(20)9-16(8-13)24-18-17-12(1-6-26(17)23-11-22-18)10-25-4-2-15(21)3-5-25/h1,
6-9,11,15H,2-5,10,21H2,(H,22,23,24) |
| InChIKey | RJCCTILJUFFGCE-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 |
21874228
|
| Drug Bank Link | - |
| ChemSpider Link | 10620582 |
| ChEMBL Link | CHEMBL1645475 |
