General Property |
Molceule ID (DB) | EGIN0000853 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 16 compound |
IUPAC Name | 4-[(3-aminophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile |
Formula | C18H16N4O2 |
Mass | 320.3452 |
Exact Mass | 320.1273258 |
Composition | C (67.49%), H (5.03%), N (17.49%), O (9.99%) |
Atom Count | 40 |
PI | 11.25 |
Smiles | c12c(cc(c(c1)OC)OC)ncc(c2Nc1cccc(c1)N)C#N |
InChI | 1S/C18H16N4O2/c1-23-16-7-14-15(8-17(16)24-2)21-10-11(9-19)18(14)22-13-5-3-4-12(20)6-13/h3-8,10H,20H2
,1-2H3,(H,21,22) |
InChIKey | MZQKSJFIOAVZJR-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 |
5328848
|
Drug Bank Link | - |
ChemSpider Link | 4486010 |
ChEMBL Link | CHEMBL110036 |