| General Property |
| Molceule ID (DB) | EGIN0002548 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 8l compound |
| IUPAC Name | 1-({4-[(3-chloro-4-fluorophenyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl}methyl)piperidin-4-amine |
| Formula | C18H20ClFN6 |
| Mass | 374.843 |
| Exact Mass | 374.1422006 |
| Composition | C (57.68%), H (5.38%), Cl (9.46%), F (5.07%), N (22.42%) |
| Atom Count | 46 |
| PI | 12.56 |
| Smiles | n1cnc(c2n1ccc2CN1CC[C@H](CC1)N)Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C18H20ClFN6/c19-15-9-14(1-2-16(15)20)24-18-17-12(3-8-26(17)23-11-22-18)10-25-6-4-13(21)5-7-25/h1-
3,8-9,11,13H,4-7,10,21H2,(H,22,23,24) |
| InChIKey | CGRLNCABNBKKKW-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 | KDR | Lck | ALL |
| Pub Chem Link |
11440253
|
| Drug Bank Link | - |
| ChemSpider Link | 9615117 |
| ChEMBL Link | CHEMBL1645476 |
