General Property |
Molceule ID (DB) | EGIN0002553 |
Inhibitor Class | Sulfonyl-benzoyl-Nitrostyrene |
Molecule Name in Refrence Article | 2 compound |
IUPAC Name | 4-[(E)-2-nitroethenyl]benzene-1,2-diol |
Formula | C8H7NO4 |
Mass | 181.1455 |
Exact Mass | 181.0375077 |
Composition | C (53.04%), H (3.89%), N (7.73%), O (35.33%) |
Atom Count | 20 |
PI | No isoelectric point. |
Smiles | c1(cc(ccc1O)/C=C/[N+](=O)[O-])O |
InChI | 1S/C8H7NO4/c10-7-2-1-6(5-8(7)11)3-4-9(12)13/h1-5,10-11H/b4-3+ |
InChIKey | LLJASJHXECDHOM-ONEGZZNKSA-N |
2D Structure | ![](./image/EGIN0002553.png) | Structure Backbone | ![](./frame/f_EGIN0002553.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 | 1652014 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | v-ab1 | PKC | ALL |
Pub Chem Link |
6439158
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Drug Bank Link | - |
ChemSpider Link | 4943587 |
ChEMBL Link | CHEMBL78224 |