General Property |
Molceule ID (DB) | EGIN0000858 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 21 compound |
IUPAC Name | 4-[(3-hydroxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile |
Formula | C18H15N3O3 |
Mass | 321.33 |
Exact Mass | 321.1113414 |
Composition | C (67.28%), H (4.71%), N (13.08%), O (14.94%) |
Atom Count | 39 |
PI | 6.55 |
Smiles | c12c(cc(c(c1)OC)OC)ncc(c2Nc1cccc(c1)O)C#N |
InChI | 1S/C18H15N3O3/c1-23-16-7-14-15(8-17(16)24-2)20-10-11(9-19)18(14)21-12-4-3-5-13(22)6-12/h3-8,10,22H,1
-2H3,(H,20,21) |
InChIKey | IKUBPVIBISSEJV-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 |
5328853
|
Drug Bank Link | - |
ChemSpider Link | 4486015 |
ChEMBL Link | CHEMBL110577 |