| General Property |
| Molceule ID (DB) | EGIN0004109 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 18 compound |
| IUPAC Name | 4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-6-[(1H-imidazol-4-ylmethyl)amino]-N,N-dimethylquinoline-8-carboxamide |
| Formula | C23H19ClFN7O |
| Mass | 463.895 |
| Exact Mass | 463.1323642 |
| Composition | C (59.55%), H (4.13%), Cl (7.64%), F (4.1%), N (21.14%), O (3.45%) |
| Atom Count | 52 |
| PI | 9.57 |
| Smiles | c1(cc(c2c(c1)c(c(cn2)C#N)Nc1cc(c(cc1)F)Cl)C(=O)N(C)C)NCc1c[nH]cn1 |
| InChI | 1S/C23H19ClFN7O/c1-32(2)23(33)18-6-15(28-11-16-10-27-12-30-16)5-17-21(13(8-26)9-29-22(17)18)31-14-3-
4-20(25)19(24)7-14/h3-7,9-10,12,28H,11H2,1-2H3,(H,27,30)(H,29,31) |
| InChIKey | QCSDGVKAAVVIBF-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 | Tpl9 | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23288997 |
| ChEMBL Link | CHEMBL242208 |
