General Property |
Molceule ID (DB) | EGIN0003208 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 11a compound |
IUPAC Name | 8-[(2-bromo-4-chlorophenyl)amino]-3H-imidazo[4,5-g]quinoline-7-carbonitrile |
Formula | C17H9BrClN5 |
Mass | 398.644 |
Exact Mass | 396.9729857 |
Composition | C (51.22%), H (2.28%), Br (20.04%), Cl (8.89%), N (17.57%) |
Atom Count | 33 |
PI | 8.65 |
Smiles | c1(c2c(ncc1C#N)cc1c(c2)nc[nH]1)Nc1c(cc(cc1)Cl)Br |
InChI | 1S/C17H9BrClN5/c18-12-3-10(19)1-2-13(12)24-17-9(6-20)7-21-14-5-16-15(4-11(14)17)22-8-23-16/h1-5,7-8H
,(H,21,24)(H,22,23) |
InChIKey | HPLLRNBZLOBRJZ-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 | 12217371 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | Src | |
Pub Chem Link |
5330113
|
Drug Bank Link | - |
ChemSpider Link | 4487264 |
ChEMBL Link | CHEMBL96096 |