| General Property |
| Molceule ID (DB) | EGIN0003149 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 51 compound |
| IUPAC Name | 8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-1,2,3-triazol-4-ylmethyl)amino]quinoline-3-carbonitrile |
| Formula | C19H12BrClFN7 |
| Mass | 472.701 |
| Exact Mass | 471.001012 |
| Composition | C (48.28%), H (2.56%), Br (16.9%), Cl (7.5%), F (4.02%), N (20.74%) |
| Atom Count | 41 |
| PI | 5.92 |
| Smiles | C(Nc1cc(c2c(c1)c(c(cn2)C#N)Nc1ccc(c(c1)Cl)F)Br)c1c[nH]nn1 |
| InChI | 1S/C19H12BrClFN7/c20-15-4-12(24-8-13-9-26-29-28-13)3-14-18(10(6-23)7-25-19(14)15)27-11-1-2-17(22)16(
21)5-11/h1-5,7,9,24H,8H2,(H,25,27)(H,26,28,29) |
| InChIKey | KEZDJRADZYWSSG-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 | 19464884 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | CAMKII | PKA | P38 | Src | MK2 | ALL |
| Pub Chem Link |
17758019
|
| Drug Bank Link | - |
| ChemSpider Link | 23289027 |
| ChEMBL Link | CHEMBL230232 |
