General Property |
Molceule ID (DB) | EGIN0000886 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 56 compound |
IUPAC Name | 4-[(3-bromophenyl)amino]-6,7-bis(methoxymethoxy)quinoline-3-carbonitrile |
Formula | C20H18BrN3O4 |
Mass | 444.279 |
Exact Mass | 443.0480687 |
Composition | C (54.07%), H (4.08%), Br (17.99%), N (9.46%), O (14.4%) |
Atom Count | 46 |
PI | 10.65 |
Smiles | c12c(cc(c(c1)OCOC)OCOC)ncc(c2Nc1cccc(c1)Br)C#N |
InChI | 1S/C20H18BrN3O4/c1-25-11-27-18-7-16-17(8-19(18)28-12-26-2)23-10-13(9-22)20(16)24-15-5-3-4-14(21)6-15
/h3-8,10H,11-12H2,1-2H3,(H,23,24) |
InChIKey | TUZMSVARIRHFNQ-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 |
5328881
|
Drug Bank Link | - |
ChemSpider Link | 4486043 |
ChEMBL Link | CHEMBL111222 |