General Property |
Molceule ID (DB) | EGIN0002557 |
Inhibitor Class | Sulfonyl-benzoyl-Nitrostyrene |
Molecule Name in Refrence Article | 5 compound |
IUPAC Name | 4-({4-[(E)-2-nitroethenyl]phenoxy}sulfonyl)benzoic acid |
Formula | C15H11NO7S |
Mass | 349.315 |
Exact Mass | 349.0256224 |
Composition | C (51.58%), H (3.17%), N (4.01%), O (32.06%), S (9.18%) |
Atom Count | 35 |
PI | No isoelectric point. |
Smiles | c1(ccc(cc1)S(=O)(=O)Oc1ccc(cc1)/C=C/[N+](=O)[O-])C(=O)O |
InChI | 1S/C15H11NO7S/c17-15(18)12-3-7-14(8-4-12)24(21,22)23-13-5-1-11(2-6-13)9-10-16(19)20/h1-10H,(H,17,18)
/b10-9+ |
InChIKey | JJLJZGDGOYIKBT-MDZDMXLPSA-N |
2D Structure | ![](./image/EGIN0002557.png) | Structure Backbone | ![](./frame/f_EGIN0002557.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 | PKC | v-ab1 | ALL |
Pub Chem Link |
14862522
|
Drug Bank Link | - |
ChemSpider Link | 23167096 |
ChEMBL Link | CHEMBL76958 |