| General Property |
| Molceule ID (DB) | EGIN0003150 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 34 compound |
| IUPAC Name | 8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-({[1-(1-ethylpiperidin-4-yl)-1H-1,2,3-triazol-4-yl]methyl}amino)quinoline-3-carbonitrile |
| Formula | C26H25Cl2FN8 |
| Mass | 539.435 |
| Exact Mass | 538.1563265 |
| Composition | C (57.89%), H (4.67%), Cl (13.14%), F (3.52%), N (20.77%) |
| Atom Count | 62 |
| PI | 13.23 |
| Smiles | C(Nc1cc(c2c(c1)c(c(cn2)C#N)Nc1ccc(c(c1)Cl)F)Cl)c1cn(nn1)C1CCN(CC1)CC |
| InChI | 1S/C26H25Cl2FN8/c1-2-36-7-5-20(6-8-36)37-15-19(34-35-37)14-31-18-9-21-25(33-17-3-4-24(29)22(27)10-17
)16(12-30)13-32-26(21)23(28)11-18/h3-4,9-11,13,15,20,31H,2,5-8,14H2,1H3,(H,32,33) |
| InChIKey | PHNZIIMWDVXPGG-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 | PKA | P38 | CAMKII | SRC | MK2 | ALL |
| Pub Chem Link |
44143370
|
| Drug Bank Link | - |
| ChemSpider Link | 23077754 |
| ChEMBL Link | CHEMBL527026 |
