| General Property |
| Molceule ID (DB) | EGIN0004111 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 28 compound |
| IUPAC Name | 8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[(pyridin-3-ylmethyl)amino]quinoline-3-carbonitrile |
| Formula | C22H14Cl2FN5 |
| Mass | 438.284 |
| Exact Mass | 437.0610291 |
| Composition | C (60.29%), H (3.22%), Cl (16.18%), F (4.33%), N (15.98%) |
| Atom Count | 44 |
| PI | 11.3 |
| Smiles | c1(cc(c2c(c1)c(c(cn2)C#N)Nc1cc(c(cc1)F)Cl)Cl)NCc1cccnc1 |
| InChI | 1S/C22H14Cl2FN5/c23-18-7-15(3-4-20(18)25)30-21-14(9-26)12-29-22-17(21)6-16(8-19(22)24)28-11-13-2-1-5
-27-10-13/h1-8,10,12,28H,11H2,(H,29,30) |
| InChIKey | VERMEYXVPILBCD-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 | Tpl11 | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23289006 |
| ChEMBL Link | CHEMBL242852 |
