General Property |
Molceule ID (DB) | EGIN0000870 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 33 compound |
IUPAC Name | 6,7-dimethoxy-4-{[3-(propan-2-yl)phenyl]amino}quinoline-3-carbonitrile |
Formula | C21H21N3O2 |
Mass | 347.4103 |
Exact Mass | 347.1633769 |
Composition | C (72.6%), H (6.09%), N (12.1%), O (9.21%) |
Atom Count | 47 |
PI | 10.99 |
Smiles | c12c(cc(c(c1)OC)OC)ncc(c2Nc1cccc(c1)C(C)C)C#N |
InChI | 1S/C21H21N3O2/c1-13(2)14-6-5-7-16(8-14)24-21-15(11-22)12-23-18-10-20(26-4)19(25-3)9-17(18)21/h5-10,1
2-13H,1-4H3,(H,23,24) |
InChIKey | AMKUXKLKCBIHIX-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 |
5328865
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Drug Bank Link | - |
ChemSpider Link | 4486027 |
ChEMBL Link | CHEMBL109625 |