General Property |
Molceule ID (DB) | EGIN0001166 |
Inhibitor Class | Azaspiro-octane |
Molecule Name in Refrence Article | 12 compound |
IUPAC Name | (6S,7S)-N-hydroxy-6-[(4-phenylpiperidin-1-yl)carbonyl]-5-azaspiro[2.5]octane-7-carboxamide |
Formula | C20H27N3O3 |
Mass | 357.4467 |
Exact Mass | 357.2052417 |
Composition | C (67.2%), H (7.61%), N (11.76%), O (13.43%) |
Atom Count | 53 |
PI | 8.36 |
Smiles | [C@H]1([C@H](NCC2(C1)CC2)C(=O)N1CC[C@H](CC1)c1ccccc1)C(=O)NO |
InChI | 1S/C20H27N3O3/c24-18(22-26)16-12-20(8-9-20)13-21-17(16)19(25)23-10-6-15(7-11-23)14-4-2-1-3-5-14/h1-5
,15-17,21,26H,6-13H2,(H,22,24)/t16-,17-/m0/s1 |
InChIKey | MITLEGOYVUMBJH-IRXDYDNUSA-N |
2D Structure | | Structure Backbone | |
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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 |
16108940
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Drug Bank Link | - |
ChemSpider Link | 17266357 |
ChEMBL Link | CHEMBL219104 |