| General Property |
| Molceule ID (DB) | EGIN0004105 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 12 compound |
| IUPAC Name | 8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol-4-ylmethyl)amino]quinoline-3-carbonitrile |
| Formula | C20H13BrClFN6 |
| Mass | 471.713 |
| Exact Mass | 470.005763 |
| Composition | C (50.92%), H (2.78%), Br (16.94%), Cl (7.52%), F (4.03%), N (17.82%) |
| Atom Count | 42 |
| PI | 9.57 |
| Smiles | c1(cc(c2c(c1)c(c(cn2)C#N)Nc1cc(c(cc1)F)Cl)Br)NCc1c[nH]cn1 |
| InChI | 1S/C20H13BrClFN6/c21-16-4-13(26-9-14-8-25-10-28-14)3-15-19(11(6-24)7-27-20(15)16)29-12-1-2-18(23)17(
22)5-12/h1-5,7-8,10,26H,9H2,(H,25,28)(H,27,29) |
| InChIKey | SKFFXBWGYMDLSC-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 | Tpl5 | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23288990 |
| ChEMBL Link | CHEMBL241988 |
