| General Property |
| Molceule ID (DB) | EGIN0004102 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 2 compound |
| IUPAC Name | 4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol-4-ylmethyl)amino]quinoline-3-carbonitrile |
| Formula | C20H14ClFN6 |
| Mass | 392.817 |
| Exact Mass | 392.0952504 |
| Composition | C (61.15%), H (3.59%), Cl (9.03%), F (4.84%), N (21.39%) |
| Atom Count | 42 |
| PI | 9.57 |
| Smiles | C(Nc1ccc2c(c1)c(c(cn2)C#N)Nc1ccc(c(c1)Cl)F)c1c[nH]cn1 |
| InChI | 1S/C20H14ClFN6/c21-17-6-14(1-3-18(17)22)28-20-12(7-23)8-26-19-4-2-13(5-16(19)20)25-10-15-9-24-11-27-
15/h1-6,8-9,11,25H,10H2,(H,24,27)(H,26,28) |
| InChIKey | HFOOHVUKODGHBP-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 | Tpl2 | |
| Pub Chem Link |
16066845
|
| Drug Bank Link | - |
| ChemSpider Link | 17226425 |
| ChEMBL Link | CHEMBL220037 |
