| General Property |
| Molceule ID (DB) | EGIN0003148 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 7 compound |
| IUPAC Name | 8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-1,2,3-triazol-4-ylmethyl)amino]quinoline-3-carbonitrile |
| Formula | C19H12Cl2FN7 |
| Mass | 428.25 |
| Exact Mass | 427.051527 |
| Composition | C (53.29%), H (2.82%), Cl (16.56%), F (4.44%), N (22.89%) |
| Atom Count | 41 |
| PI | 5.81 |
| Smiles | C(Nc1cc(c2c(c1)c(c(cn2)C#N)Nc1ccc(c(c1)Cl)F)Cl)c1c[nH]nn1 |
| InChI | 1S/C19H12Cl2FN7/c20-15-4-11(1-2-17(15)22)27-18-10(6-23)7-25-19-14(18)3-12(5-16(19)21)24-8-13-9-26-29
-28-13/h1-5,7,9,24H,8H2,(H,25,27)(H,26,28,29) |
| InChIKey | IKMGVUYZBWHRNX-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 | 19464884 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Tpl2 | |
| Pub Chem Link |
44143345
|
| Drug Bank Link | - |
| ChemSpider Link | 24706594 |
| ChEMBL Link | CHEMBL496388 |
