| General Property |
| Molceule ID (DB) | EGIN0001909 |
| Inhibitor Class | Naphthyridine |
| Molecule Name in Refrence Article | 1b compound |
| IUPAC Name | 4-[(3-chloro-4-fluorophenyl)amino]-6-[(pyridin-3-ylmethyl)amino]-1,7-naphthyridine-3-carbonitrile |
| Formula | C21H14ClFN6 |
| Mass | 404.827 |
| Exact Mass | 404.0952504 |
| Composition | C (62.3%), H (3.49%), Cl (8.76%), F (4.69%), N (20.76%) |
| Atom Count | 43 |
| PI | 10.86 |
| Smiles | c1(CNc2ncc3c(c2)c(c(cn3)C#N)Nc2ccc(c(c2)Cl)F)cnccc1 |
| InChI | 1S/C21H14ClFN6/c22-17-6-15(3-4-18(17)23)29-21-14(8-24)11-26-19-12-28-20(7-16(19)21)27-10-13-2-1-5-25
-9-13/h1-7,9,11-12H,10H2,(H,26,29)(H,27,28) |
| InChIKey | NMEUKWOOQOHUNA-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 | 17664070 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Tpl2 | |
| Pub Chem Link |
9549300
|
| Drug Bank Link | - |
| ChemSpider Link | 7828216 |
| ChEMBL Link | CHEMBL200381 |
