| General Property |
| Molceule ID (DB) | EGIN0003402 |
| Inhibitor Class | Triazine |
| Molecule Name in Refrence Article | 44 compound |
| IUPAC Name | 5-({6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-2,4-difluoro-N-methoxybenzamide |
| Formula | C20H17F4N7O3 |
| Mass | 479.3877 |
| Exact Mass | 479.1329003 |
| Composition | C (50.11%), H (3.57%), F (15.85%), N (20.45%), O (10.01%) |
| Atom Count | 51 |
| PI | 4.74 |
| Smiles | c1(c(c2n(c1)ncnc2Nc1cc(c(cc1F)F)C(=O)NOC)C(C)C)c1oc(nn1)C(F)F |
| InChI | 1S/C20H17F4N7O3/c1-8(2)14-10(19-28-29-20(34-19)16(23)24)6-31-15(14)17(25-7-26-31)27-13-4-9(18(32)30-
33-3)11(21)5-12(13)22/h4-8,16H,1-3H3,(H,30,32)(H,25,26,27) |
| InChIKey | BPXQYAXTDCQZHB-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 | 15943473 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | PDGFR beta | IGF1R | CDK2 | PKC alpha | FGFR1 | LCK | VEGFR2 | Flk-1 | ALL |
| Pub Chem Link |
10073832
|
| Drug Bank Link | - |
| ChemSpider Link | 8249372 |
| ChEMBL Link | CHEMBL194498 |
