| General Property |
| Molceule ID (DB) | EGIN0003152 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 36 compound |
| IUPAC Name | 8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[({1-[1-(propan-2-yl)piperidin-4-yl]-1H-1,2,3-triazol-4-yl}methyl)amino]quinoline-3-carbonitrile |
| Formula | C27H27Cl2FN8 |
| Mass | 553.461 |
| Exact Mass | 552.1719765 |
| Composition | C (58.59%), H (4.92%), Cl (12.81%), F (3.43%), N (20.25%) |
| Atom Count | 65 |
| PI | 13.37 |
| Smiles | C(Nc1cc(c2c(c1)c(c(cn2)C#N)Nc1ccc(c(c1)Cl)F)Cl)c1cn(nn1)C1CCN(CC1)C(C)C |
| InChI | 1S/C27H27Cl2FN8/c1-16(2)37-7-5-21(6-8-37)38-15-20(35-36-38)14-32-19-9-22-26(34-18-3-4-25(30)23(28)10
-18)17(12-31)13-33-27(22)24(29)11-19/h3-4,9-11,13,15-16,21,32H,5-8,14H2,1-2H3,(H,33,34) |
| InChIKey | GBYSPHCOZHPPFX-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 | 19464884 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | MK2 | PKA | SRC | P38 | CAMKII | ALL |
| Pub Chem Link |
44143372
|
| Drug Bank Link | - |
| ChemSpider Link | 24719630 |
| ChEMBL Link | CHEMBL523059 |
