| General Property |
| Molceule ID (DB) | EGIN0003437 |
| Inhibitor Class | Pyridinyl-triazine |
| Molecule Name in Refrence Article | 63 compound |
| IUPAC Name | N-(2-{[3-(dimethylamino)propyl](methyl)amino}-5-(trifluoromethyl)phenyl)-2-fluoro-5-({3-[4-(methylamino)-1,3,5-triazin-2-yl]pyridin-2-yl}oxy)benzamide |
| Formula | C29H30F4N8O2 |
| Mass | 598.5945 |
| Exact Mass | 598.2427851 |
| Composition | C (58.19%), H (5.05%), F (12.7%), N (18.72%), O (5.35%) |
| Atom Count | 73 |
| PI | 9.8 |
| Smiles | n1c(nc(nc1)c1cccnc1Oc1cc(c(cc1)F)C(=O)Nc1cc(ccc1N(CCCN(C)C)C)C(F)(F)F)NC |
| InChI | 1S/C29H30F4N8O2/c1-34-28-37-17-36-25(39-28)20-7-5-12-35-27(20)43-19-9-10-22(30)21(16-19)26(42)38-23-
15-18(29(31,32)33)8-11-24(23)41(4)14-6-13-40(2)3/h5,7-12,15-17H,6,13-14H2,1-4H3,(H,38,42)(H,34,36,37
,39) |
| InChIKey | HHKGVQGXRGQBBA-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 | 17253678 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Abl | AurA | BTK | CDK5 | cfms | c-Met | CSK | EpHB4 | Fes | Fgr | IGFR1 | INSR | Itk | Jak3 | JNK3 | KDR | Lck | Lyn | p38R | PDGFR | PKBR | RET | SRC | SYK | TIE2 | TrkA | Zap70 | ALL |
| Pub Chem Link |
16109001
|
| Drug Bank Link | - |
| ChemSpider Link | 17266417 |
| ChEMBL Link | CHEMBL373882 |
