General Property |
Molceule ID (DB) | EGIN0000883 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 2b |
IUPAC Name | 4-[(3-bromophenyl)amino]-6,7-dimethoxyquinoline-3-carboxylic acid |
Formula | C18H15BrN2O4 |
Mass | 403.227 |
Exact Mass | 402.0215196 |
Composition | C (53.62%), H (3.75%), Br (19.82%), N (6.95%), O (15.87%) |
Atom Count | 40 |
PI | 5.05 |
Smiles | c12c(cc(c(c1)OC)OC)ncc(c2Nc1cccc(c1)Br)C(=O)O |
InChI | 1S/C18H15BrN2O4/c1-24-15-7-12-14(8-16(15)25-2)20-9-13(18(22)23)17(12)21-11-5-3-4-10(19)6-11/h3-9H,1-
2H3,(H,20,21)(H,22,23) |
InChIKey | CISJBDCCOIMBGW-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 | 22309911 | 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 |
5328878
|
Drug Bank Link | - |
ChemSpider Link | 4486040 |
ChEMBL Link | CHEMBL541988 |