General Property |
Molceule ID (DB) | EGIN0000388 |
Inhibitor Class | Anilino-quinoline |
Molecule Name in Refrence Article | 30 compound |
IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]-3-cyanoquinolin-6-yl}-4-(dimethylamino)but-2-enamide |
Formula | C22H20BrN5O |
Mass | 450.331 |
Exact Mass | 449.0851229 |
Composition | C (58.68%), H (4.48%), Br (17.74%), N (15.55%), O (3.55%) |
Atom Count | 49 |
PI | 11.66 |
Smiles | c12c(ccc(c1)NC(=O)/C=C/CN(C)C)ncc(c2Nc1cccc(c1)Br)C#N |
InChI | 1S/C22H20BrN5O/c1-28(2)10-4-7-21(29)26-18-8-9-20-19(12-18)22(15(13-24)14-25-20)27-17-6-3-5-16(23)11-
17/h3-9,11-12,14H,10H2,1-2H3,(H,25,27)(H,26,29)/b7-4+ |
InChIKey | ABDIOQXDBJMGHB-QPJJXVBHSA-N |
2D Structure | ![](./image/EGIN0000388.png) | Structure Backbone | ![](./frame/f_EGIN0000388.png) |
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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 | 12502359 | 15006373 | |
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 |
10253204
|
Drug Bank Link | - |
ChemSpider Link | 8428690 |
ChEMBL Link | CHEMBL30973 |