| General Property |
| Molceule ID (DB) | EGIN0004114 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 55 compound |
| IUPAC Name | 8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-[({1-[3-(dimethylamino)propyl]-1H-1,2,3-triazol-4-yl}methyl)amino]quinoline-3-carbonitrile |
| Formula | C24H23BrClFN8 |
| Mass | 557.848 |
| Exact Mass | 556.0901613 |
| Composition | C (51.67%), H (4.16%), Br (14.32%), Cl (6.36%), F (3.41%), N (20.09%) |
| Atom Count | 58 |
| PI | 13.56 |
| Smiles | c1(cc(c2c(c1)c(c(cn2)C#N)Nc1cc(c(cc1)F)Cl)Br)NCc1cn(nn1)CCCN(C)C |
| InChI | 1S/C24H23BrClFN8/c1-34(2)6-3-7-35-14-18(32-33-35)13-29-17-8-19-23(31-16-4-5-22(27)21(26)10-16)15(11-
28)12-30-24(19)20(25)9-17/h4-5,8-10,12,14,29H,3,6-7,13H2,1-2H3,(H,30,31) |
| InChIKey | RUCXDAGQSXXFMK-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 | 17715908 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Tpl14 | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23289031 |
| ChEMBL Link | CHEMBL425834 |
