| General Property |
| Molceule ID (DB) | EGIN0002574 |
| Inhibitor Class | Sulfonyl-benzoyl-Nitrostyrene |
| Molecule Name in Refrence Article | 23 compound |
| IUPAC Name | [(2R)-1-{[(2-aminoethyl)amino]oxy}-1-oxopropan-2-yl]amino (2R)-2-{[4-({4-[(E)-2-nitroethenyl]phenoxy}sulfonyl)phenyl]formamido}propanoate |
| Formula | C23H27N5O10S |
| Mass | 565.553 |
| Exact Mass | 565.1478628 |
| Composition | C (48.85%), H (4.81%), N (12.38%), O (28.29%), S (5.67%) |
| Atom Count | 66 |
| PI | 11.55 |
| Smiles | c1(C(=O)N[C@H](C)C(=O)ON[C@@H](C(=O)ONCCN)C)ccc(cc1)S(=O)(=O)Oc1ccc(cc1)/C=C/[N+](=O)[O-] |
| InChI | 1S/C23H27N5O10S/c1-15(22(30)37-27-16(2)23(31)36-25-13-12-24)26-21(29)18-5-9-20(10-6-18)39(34,35)38-1
9-7-3-17(4-8-19)11-14-28(32)33/h3-11,14-16,25,27H,12-13,24H2,1-2H3,(H,26,29)/b14-11+/t15-,16-/m1/s1 |
| InChIKey | IWIIGYQODXGFEQ-GSEJNISDSA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL309392 |
