| General Property |
| Molceule ID (DB) | EGIN0004106 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | 4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol-4-ylmethyl)amino]-8-(trifluoromethyl)quinoline-3-carbonitrile |
| Formula | C21H13ClF4N6 |
| Mass | 460.815 |
| Exact Mass | 460.082635 |
| Composition | C (54.73%), H (2.84%), Cl (7.69%), F (16.49%), N (18.24%) |
| Atom Count | 45 |
| PI | 9.57 |
| Smiles | c1(cc(c2c(c1)c(c(cn2)C#N)Nc1cc(c(cc1)F)Cl)C(F)(F)F)NCc1c[nH]cn1 |
| InChI | 1S/C21H13ClF4N6/c22-17-5-12(1-2-18(17)23)32-19-11(6-27)7-30-20-15(19)3-13(4-16(20)21(24,25)26)29-9-1
4-8-28-10-31-14/h1-5,7-8,10,29H,9H2,(H,28,31)(H,30,32) |
| InChIKey | VNDJQGZFTOLUSU-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 | Tpl6 | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23288991 |
| ChEMBL Link | CHEMBL241989 |
