| General Property |
| Molceule ID (DB) | EGIN0001169 |
| Inhibitor Class | Azaspiro-octane |
| Molecule Name in Refrence Article | 16 compound |
| IUPAC Name | (6S,7S)-N-hydroxy-6-{[4-(2-methyl-4-nitrophenyl)-1,2,3,6-tetrahydropyridin-1-yl]carbonyl}-5-azaspiro[2.5]octane-7-carboxamide |
| Formula | C21H26N4O5 |
| Mass | 414.4549 |
| Exact Mass | 414.19032 |
| Composition | C (60.86%), H (6.32%), N (13.52%), O (19.3%) |
| Atom Count | 56 |
| PI | 8.36 |
| Smiles | [C@H]1([C@H](NCC2(C1)CC2)C(=O)N1CCC(=CC1)c1ccc(cc1C)N(=O)=O)C(=O)NO |
| InChI | 1S/C21H26N4O5/c1-13-10-15(25(29)30)2-3-16(13)14-4-8-24(9-5-14)20(27)18-17(19(26)23-28)11-21(6-7-21)1
2-22-18/h2-4,10,17-18,22,28H,5-9,11-12H2,1H3,(H,23,26)/t17-,18-/m0/s1 |
| InChIKey | CDQQKPZINNWUDS-ROUUACIJSA-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 |
16108942
|
| Drug Bank Link | - |
| ChemSpider Link | 17266359 |
| ChEMBL Link | CHEMBL373853 |
