| General Property |
| Molceule ID (DB) | EGIN0002736 |
| Inhibitor Class | Pyridine-aceto-nitrile |
| Molecule Name in Refrence Article | RG-13022 |
| IUPAC Name | (2Z)-3-(3,4-dimethoxyphenyl)-2-(pyridin-3-yl)prop-2-enenitrile |
| Formula | C16H14N2O2 |
| Mass | 266.2946 |
| Exact Mass | 266.1055277 |
| Composition | C (72.16%), H (5.3%), N (10.52%), O (12.02%) |
| Atom Count | 34 |
| PI | No isoelectric point. |
| Smiles | C(=Cc1cc(c(cc1)OC)OC)(C#N)/c1cnccc1 |
| InChI | 1S/C16H14N2O2/c1-19-15-6-5-12(9-16(15)20-2)8-14(10-17)13-4-3-7-18-11-13/h3-9,11H,1-2H3/b14-8+ |
| InChIKey | DBGZNJVTHYFQJI-RIYZIHGNSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 7608909 | 8035419 | |
| 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 |
5468216
|
| Drug Bank Link | - |
| ChemSpider Link | 4578997 |
| ChEMBL Link | CHEMBL67027 |
