| General Property |
| Molceule ID (DB) | EGIN0002569 |
| Inhibitor Class | Sulfonyl-benzoyl-Nitrostyrene |
| Molecule Name in Refrence Article | 18 compound |
| IUPAC Name | tert-butyl N-(2-{[4-({4-[(E)-2-nitroethenyl]phenoxy}sulfonyl)phenyl]formamido}ethyl)carbamate |
| Formula | C22H25N3O8S |
| Mass | 491.514 |
| Exact Mass | 491.1362355 |
| Composition | C (53.76%), H (5.13%), N (8.55%), O (26.04%), S (6.52%) |
| Atom Count | 59 |
| PI | 6.13 |
| Smiles | c1(ccc(cc1)S(=O)(=O)Oc1ccc(cc1)/C=C/[N+](=O)[O-])C(=O)NCCNC(=O)OC(C)(C)C |
| InChI | 1S/C22H25N3O8S/c1-22(2,3)32-21(27)24-14-13-23-20(26)17-6-10-19(11-7-17)34(30,31)33-18-8-4-16(5-9-18)
12-15-25(28)29/h4-12,15H,13-14H2,1-3H3,(H,23,26)(H,24,27)/b15-12+ |
| InChIKey | BHQGHWWROTWESK-NTCAYCPXSA-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 | v-ab1 | PKC | ALL |
| Pub Chem Link |
14862539
|
| Drug Bank Link | - |
| ChemSpider Link | 23167074 |
| ChEMBL Link | CHEMBL418906 |
