| General Property |
| Molceule ID (DB) | EGIN0003403 |
| Inhibitor Class | Triazine |
| Molecule Name in Refrence Article | 50 compound |
| IUPAC Name | 5-[(6-{5-[difluoro(methanesulfonyl)methyl]-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 | C21H19F4N7O5S |
| Mass | 557.478 |
| Exact Mass | 557.1104503 |
| Composition | C (45.24%), H (3.44%), F (13.63%), N (17.59%), O (14.35%), S (5.75%) |
| Atom Count | 57 |
| PI | 4.74 |
| Smiles | c1(c(c2n(c1)ncnc2Nc1cc(c(cc1F)F)C(=O)NOC)C(C)C)c1oc(C(S(=O)(=O)C)(F)F)nn1 |
| InChI | 1S/C21H19F4N7O5S/c1-9(2)15-11(19-29-30-20(37-19)21(24,25)38(4,34)35)7-32-16(15)17(26-8-27-32)28-14-5
-10(18(33)31-36-3)12(22)6-13(14)23/h5-9H,1-4H3,(H,31,33)(H,26,27,28) |
| InChIKey | FAYFMVHYNQOQRQ-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 | Flk-1 | VEGFR2 | LCK | ALL |
| Pub Chem Link |
11432911
|
| Drug Bank Link | - |
| ChemSpider Link | 9607784 |
| ChEMBL Link | CHEMBL195903 |
