General Property |
Molceule ID (DB) | EGIN0001175 |
Inhibitor Class | Azaspiro-octane |
Molecule Name in Refrence Article | 22 compound |
IUPAC Name | methyl (6S,7S)-7-(hydroxycarbamoyl)-6-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)carbonyl]-5-azaspiro[2.5]octane-5-carboxylate |
Formula | C22H27N3O5 |
Mass | 413.4669 |
Exact Mass | 413.195071 |
Composition | C (63.91%), H (6.58%), N (10.16%), O (19.35%) |
Atom Count | 57 |
PI | 2.61 |
Smiles | [C@H]1([C@H](N(CC2(C1)CC2)C(=O)OC)C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO |
InChI | 1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2
-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/m0/s1 |
InChIKey | CKZHFOKQZRZCPF-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 |
11625778
|
Drug Bank Link | - |
ChemSpider Link | 9800525 |
ChEMBL Link | CHEMBL434567 |