| General Property |
| Molceule ID (DB) | EGIN0003035 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 11 compound |
| IUPAC Name | 8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol-5-ylmethyl)amino]quinoline-3-carbonitrile |
| Formula | C20H13Cl2FN6 |
| Mass | 427.262 |
| Exact Mass | 426.0562781 |
| Composition | C (56.22%), H (3.07%), Cl (16.6%), F (4.45%), N (19.67%) |
| Atom Count | 42 |
| PI | 9.6 |
| Smiles | c1(cc(c2c(c1)c(c(cn2)C#N)Nc1cc(c(cc1)F)Cl)Cl)NCc1cnc[nH]1 |
| InChI | 1S/C20H13Cl2FN6/c21-16-4-12(1-2-18(16)23)29-19-11(6-24)7-27-20-15(19)3-13(5-17(20)22)26-9-14-8-25-10
-28-14/h1-5,7-8,10,26H,9H2,(H,25,28)(H,27,29) |
| InChIKey | ONXROKMQGCSOMG-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 | 17848581 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | MKK6 | p38 | PKA | PKC | RAF1 | S6K | Src | MEK1 | Tpl2 | CaMKII | MK2 | JNK1 | IKK beta | ALL |
| Pub Chem Link |
17759555
|
| Drug Bank Link | - |
| ChemSpider Link | 22484347 |
| ChEMBL Link | CHEMBL436817 |
