General Property |
Molceule ID (DB) | EGIN0000254 |
Inhibitor Class | Iso-quinoline |
Molecule Name in Refrence Article | 21 compound |
IUPAC Name | N-(3-bromophenyl)isoquinolin-1-amine |
Formula | C15H11BrN2 |
Mass | 299.165 |
Exact Mass | 298.010561 |
Composition | C (60.22%), H (3.71%), Br (26.71%), N (9.36%) |
Atom Count | 29 |
PI | 11.03 |
Smiles | c12c(cccc1)ccnc2Nc1cccc(c1)Br |
InChI | 1S/C15H11BrN2/c16-12-5-3-6-13(10-12)18-15-14-7-2-1-4-11(14)8-9-17-15/h1-10H,(H,17,18) |
InChIKey | XLUUAOKSTRHPIZ-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 | 7658435 | 9154973 | |
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 |
4321095
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Drug Bank Link | - |
ChemSpider Link | 3526009 |
ChEMBL Link | CHEMBL39563 |