| General Property |
| Molceule ID (DB) | EGIN0002538 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 8b compound |
| IUPAC Name | 1-({4-[(3-ethynylphenyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl}methyl)piperidin-4-amine |
| Formula | C20H22N6 |
| Mass | 346.4289 |
| Exact Mass | 346.1905947 |
| Composition | C (69.34%), H (6.4%), N (24.26%) |
| Atom Count | 48 |
| PI | 12.58 |
| Smiles | n1cnc(c2n1ccc2CN1CC[C@H](CC1)N)Nc1cc(ccc1)C#C |
| InChI | 1S/C20H22N6/c1-2-15-4-3-5-18(12-15)24-20-19-16(6-11-26(19)23-14-22-20)13-25-9-7-17(21)8-10-25/h1,3-6
,11-12,14,17H,7-10,13,21H2,(H,22,23,24) |
| InChIKey | RKUHGVDFHLNNLT-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 |
11382411
|
| Drug Bank Link | - |
| ChemSpider Link | 9557324 |
| ChEMBL Link | CHEMBL1645466 |
