General Property |
Molceule ID (DB) | EGIN0003153 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 37 compound |
IUPAC Name | 8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-({[1-(1-cyclobutylpiperidin-4-yl)-1H-1,2,3-triazol-4-yl]methyl}amino)quinoline-3-carbonitrile |
Formula | C28H27Cl2FN8 |
Mass | 565.472 |
Exact Mass | 564.1719765 |
Composition | C (59.47%), H (4.81%), Cl (12.54%), F (3.36%), N (19.82%) |
Atom Count | 66 |
PI | 13.37 |
Smiles | C(Nc1cc(c2c(c1)c(c(cn2)C#N)Nc1ccc(c(c1)Cl)F)Cl)c1cn(nn1)[C@@H]1CCN(CC1)C1CCC1 |
InChI | 1S/C28H27Cl2FN8/c29-24-11-18(4-5-26(24)31)35-27-17(13-32)14-34-28-23(27)10-19(12-25(28)30)33-15-20-1
6-39(37-36-20)22-6-8-38(9-7-22)21-2-1-3-21/h4-5,10-12,14,16,21-22,33H,1-3,6-9,15H2,(H,34,35) |
InChIKey | YGHNIYXOYMJYDH-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 | 19464884 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | Src | PKA | MK2 | P38 | CAMKII | ALL |
Pub Chem Link |
44143373
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Drug Bank Link | - |
ChemSpider Link | 24711086 |
ChEMBL Link | CHEMBL501709 |