| General Property |
| Molceule ID (DB) | EGIN0004103 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 10 compound |
| IUPAC Name | 4-[(3-chloro-4-fluorophenyl)amino]-8-fluoro-6-[(1H-imidazol-4-ylmethyl)amino]quinoline-3-carbonitrile |
| Formula | C20H13ClF2N6 |
| Mass | 410.807 |
| Exact Mass | 410.0858286 |
| Composition | C (58.47%), H (3.19%), Cl (8.63%), F (9.25%), N (20.46%) |
| Atom Count | 42 |
| PI | 9.57 |
| Smiles | C(Nc1cc(c2c(c1)c(c(cn2)C#N)Nc1ccc(c(c1)Cl)F)F)c1c[nH]cn1 |
| InChI | 1S/C20H13ClF2N6/c21-16-4-12(1-2-17(16)22)29-19-11(6-24)7-27-20-15(19)3-13(5-18(20)23)26-9-14-8-25-10
-28-14/h1-5,7-8,10,26H,9H2,(H,25,28)(H,27,29) |
| InChIKey | GRPUCYCKBBWGEO-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 | Tpl3 | |
| Pub Chem Link |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 23288989 |
| ChEMBL Link | CHEMBL245212 |
