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 | ![](./image/EGIN0002736.png) | Structure Backbone | ![](./frame/f_EGIN0002736.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 | 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
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Drug Bank Link | - |
ChemSpider Link | 4578997 |
ChEMBL Link | CHEMBL67027 |