| General Property |
| Molceule ID (DB) | EGIN0003153 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 37 compound |
| IUPAC Name | 8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-({[1-(1-cyclobutylpiperidin-4-yl)-1H-1,2,3-triazol-4-yl]methyl}amino)quinoline-3-carbonitrile |
| Formula | C28H27Cl2FN8 |
| Mass | 565.472 |
| Exact Mass | 564.1719765 |
| Composition | C (59.47%), H (4.81%), Cl (12.54%), F (3.36%), N (19.82%) |
| Atom Count | 66 |
| PI | 13.37 |
| Smiles | C(Nc1cc(c2c(c1)c(c(cn2)C#N)Nc1ccc(c(c1)Cl)F)Cl)c1cn(nn1)[C@@H]1CCN(CC1)C1CCC1 |
| InChI | 1S/C28H27Cl2FN8/c29-24-11-18(4-5-26(24)31)35-27-17(13-32)14-34-28-23(27)10-19(12-25(28)30)33-15-20-1
6-39(37-36-20)22-6-8-38(9-7-22)21-2-1-3-21/h4-5,10-12,14,16,21-22,33H,1-3,6-9,15H2,(H,34,35) |
| InChIKey | YGHNIYXOYMJYDH-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 | Src | PKA | MK2 | P38 | CAMKII | ALL |
| Pub Chem Link |
44143373
|
| Drug Bank Link | - |
| ChemSpider Link | 24711086 |
| ChEMBL Link | CHEMBL501709 |
