General Property |
Molceule ID (DB) | EGIN0000881 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 51 compound |
IUPAC Name | {4-[(3-bromophenyl)amino]-6,7-dimethoxyquinolin-3-yl}methanol |
Formula | C18H17BrN2O3 |
Mass | 389.243 |
Exact Mass | 388.0422551 |
Composition | C (55.54%), H (4.4%), Br (20.53%), N (7.2%), O (12.33%) |
Atom Count | 41 |
PI | 11.1 |
Smiles | c12c(cc(c(c1)OC)OC)ncc(c2Nc1cccc(c1)Br)CO |
InChI | 1S/C18H17BrN2O3/c1-23-16-7-14-15(8-17(16)24-2)20-9-11(10-22)18(14)21-13-5-3-4-12(19)6-13/h3-9,22H,10
H2,1-2H3,(H,20,21) |
InChIKey | NMNOCAWQEQWSTF-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 |
5328876
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Drug Bank Link | - |
ChemSpider Link | 4486038 |
ChEMBL Link | CHEMBL439596 |