General Property |
Molceule ID (DB) | EGIN0002555 |
Inhibitor Class | Sulfonyl-benzoyl-Nitrostyrene |
Molecule Name in Refrence Article | 4 compound |
IUPAC Name | 4-[(1E)-2-nitroprop-1-en-1-yl]benzene-1,2-diol |
Formula | C9H9NO4 |
Mass | 195.1721 |
Exact Mass | 195.0531578 |
Composition | C (55.39%), H (4.65%), N (7.18%), O (32.79%) |
Atom Count | 23 |
PI | No isoelectric point. |
Smiles | c1(cc(ccc1O)/C=C(C)/[N+](=O)[O-])O |
InChI | 1S/C9H9NO4/c1-6(10(13)14)4-7-2-3-8(11)9(12)5-7/h2-5,11-12H,1H3/b6-4+ |
InChIKey | CBBBJLQAIWVLBM-GQCTYLIASA-N |
2D Structure | ![](./image/EGIN0002555.png) | Structure Backbone | ![](./frame/f_EGIN0002555.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 |
5775636
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Drug Bank Link | - |
ChemSpider Link | 4698090 |
ChEMBL Link | CHEMBL78049 |