| General Property |
| Molceule ID (DB) | EGIN0001168 |
| Inhibitor Class | Azaspiro-octane |
| Molecule Name in Refrence Article | 15 compound |
| IUPAC Name | (6S,7S)-N-hydroxy-6-{[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]carbonyl}-5-azaspiro[2.5]octane-7-carboxamide |
| Formula | C20H27N5O5 |
| Mass | 417.4589 |
| Exact Mass | 417.201219 |
| Composition | C (57.54%), H (6.52%), N (16.78%), O (19.16%) |
| Atom Count | 57 |
| PI | 8.36 |
| Smiles | [C@H]1([C@H](NCC2(C1)CC2)C(=O)N1CCN(CC1)c1ccc(cc1C)N(=O)=O)C(=O)NO |
| InChI | 1S/C20H27N5O5/c1-13-10-14(25(29)30)2-3-16(13)23-6-8-24(9-7-23)19(27)17-15(18(26)22-28)11-20(4-5-20)1
2-21-17/h2-3,10,15,17,21,28H,4-9,11-12H2,1H3,(H,22,26)/t15-,17-/m0/s1 |
| InChIKey | IWNGNUDBGMCFNB-RDJZCZTQSA-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 | 17256836 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | ADAM-10 | MMP-1 | MMP-2 | MMP-3 | MMP-9 | ALL |
| Pub Chem Link |
16108949
|
| Drug Bank Link | - |
| ChemSpider Link | 17266366 |
| ChEMBL Link | CHEMBL221120 |
