General Property |
Molceule ID (DB) | EGIN0002556 |
Inhibitor Class | Sulfonyl-benzoyl-Nitrostyrene |
Molecule Name in Refrence Article | 6 compound |
IUPAC Name | 4-({2-methoxy-4-[(E)-2-nitroethenyl]phenoxy}sulfonyl)benzoic acid |
Formula | C16H13NO8S |
Mass | 379.341 |
Exact Mass | 379.0361871 |
Composition | C (50.66%), H (3.45%), N (3.69%), O (33.74%), S (8.45%) |
Atom Count | 39 |
PI | No isoelectric point. |
Smiles | c1(ccc(cc1)S(=O)(=O)Oc1c(cc(cc1)/C=C/[N+](=O)[O-])OC)C(=O)O |
InChI | 1S/C16H13NO8S/c1-24-15-10-11(8-9-17(20)21)2-7-14(15)25-26(22,23)13-5-3-12(4-6-13)16(18)19/h2-10H,1H3
,(H,18,19)/b9-8+ |
InChIKey | FMXXONPXMIWVBT-CMDGGOBGSA-N |
2D Structure | ![](./image/EGIN0002556.png) | Structure Backbone | ![](./frame/f_EGIN0002556.png) |
|
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 |
14862523
|
Drug Bank Link | - |
ChemSpider Link | 23167144 |
ChEMBL Link | CHEMBL418907 |