| General Property |
| Molceule ID (DB) | EGIN0004110 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 19 compound |
| IUPAC Name | 8-acetyl-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol-4-ylmethyl)amino]quinoline-3-carbonitrile |
| Formula | C22H16ClFN6O |
| Mass | 434.853 |
| Exact Mass | 434.1058151 |
| Composition | C (60.76%), H (3.71%), Cl (8.15%), F (4.37%), N (19.33%), O (3.68%) |
| Atom Count | 47 |
| PI | 9.57 |
| Smiles | c1(cc(c2c(c1)c(c(cn2)C#N)Nc1cc(c(cc1)F)Cl)C(=O)C)NCc1c[nH]cn1 |
| InChI | 1S/C22H16ClFN6O/c1-12(31)17-4-15(27-10-16-9-26-11-29-16)5-18-21(13(7-25)8-28-22(17)18)30-14-2-3-20(2
4)19(23)6-14/h2-6,8-9,11,27H,10H2,1H3,(H,26,29)(H,28,30) |
| InChIKey | FYBDFTOKGKWXLM-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 | Tpl10 | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23288998 |
| ChEMBL Link | CHEMBL397949 |
