General Property |
Molceule ID (DB) | EGIN0002527 |
Inhibitor Class | Iso-quinoline |
Molecule Name in Refrence Article | 13 compound |
IUPAC Name | ethyl N-{1-[(3-bromophenyl)amino]-4-cyanoisoquinolin-7-yl}carbamate |
Formula | C19H15BrN4O2 |
Mass | 411.252 |
Exact Mass | 410.0378384 |
Composition | C (55.49%), H (3.68%), Br (19.43%), N (13.62%), O (7.78%) |
Atom Count | 41 |
PI | 7.36 |
Smiles | c1(ccc2c(c1)c(ncc2C#N)Nc1cc(ccc1)Br)NC(=O)OCC |
InChI | 1S/C19H15BrN4O2/c1-2-26-19(25)24-15-6-7-16-12(10-21)11-22-18(17(16)9-15)23-14-5-3-4-13(20)8-14/h3-9,
11H,2H2,1H3,(H,22,23)(H,24,25) |
InChIKey | KALBEVISAZNDOS-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 | 21130659 |
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 |
53324440
|
Drug Bank Link | - |
ChemSpider Link | 26379912 |
ChEMBL Link | CHEMBL1641994 |