General Property |
Molceule ID (DB) | EGIN0000874 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 37 compound |
IUPAC Name | 4-[(3-bromo-2-methylphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile |
Formula | C19H16BrN3O2 |
Mass | 398.253 |
Exact Mass | 397.0425894 |
Composition | C (57.3%), H (4.05%), Br (20.06%), N (10.55%), O (8.03%) |
Atom Count | 41 |
PI | 10.95 |
Smiles | c12c(cc(c(c1)OC)OC)ncc(c2Nc1c(c(ccc1)Br)C)C#N |
InChI | 1S/C19H16BrN3O2/c1-11-14(20)5-4-6-15(11)23-19-12(9-21)10-22-16-8-18(25-3)17(24-2)7-13(16)19/h4-8,10H
,1-3H3,(H,22,23) |
InChIKey | PIFMNYYGBVDDCK-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 | 10966743 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
5328869
|
Drug Bank Link | - |
ChemSpider Link | 4486031 |
ChEMBL Link | CHEMBL112225 |