| General Property |
| Molceule ID (DB) | EGIN0002568 |
| Inhibitor Class | Sulfonyl-benzoyl-Nitrostyrene |
| Molecule Name in Refrence Article | 17 compound |
| IUPAC Name | 2-methoxy-4-[(1Z)-2-nitroprop-1-en-1-yl]phenyl 4-(methylcarbamoyl)benzene-1-sulfonate |
| Formula | C18H18N2O7S |
| Mass | 406.41 |
| Exact Mass | 406.0834716 |
| Composition | C (53.2%), H (4.46%), N (6.89%), O (27.56%), S (7.89%) |
| Atom Count | 46 |
| PI | 6.18 |
| Smiles | c1(ccc(cc1)S(=O)(=O)Oc1c(cc(cc1)/C=C([N+](=O)[O-])/C)OC)C(=O)NC |
| InChI | 1S/C18H18N2O7S/c1-12(20(22)23)10-13-4-9-16(17(11-13)26-3)27-28(24,25)15-7-5-14(6-8-15)18(21)19-2/h4-
11H,1-3H3,(H,19,21)/b12-10- |
| InChIKey | DOKRANQLTWADFN-BENRWUELSA-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 | 1652014 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | PKC | |
| Pub Chem Link |
14862534
|
| Drug Bank Link | - |
| ChemSpider Link | 23167075 |
| ChEMBL Link | CHEMBL78280 |
