General Property |
Molceule ID (DB) | EGIN0001171 |
Inhibitor Class | Azaspiro-octane |
Molecule Name in Refrence Article | 18 compound |
IUPAC Name | (6S,7S)-N-hydroxy-6-{[(3R)-3-phenylpyrrolidin-1-yl]carbonyl}-5-azaspiro[2.5]octane-7-carboxamide |
Formula | C19H25N3O3 |
Mass | 343.4201 |
Exact Mass | 343.1895917 |
Composition | C (66.45%), H (7.34%), N (12.24%), O (13.98%) |
Atom Count | 50 |
PI | 8.36 |
Smiles | [C@H]1([C@H](NCC2(C1)CC2)C(=O)N1C[C@H](CC1)c1ccccc1)C(=O)NO |
InChI | 1S/C19H25N3O3/c23-17(21-25)15-10-19(7-8-19)12-20-16(15)18(24)22-9-6-14(11-22)13-4-2-1-3-5-13/h1-5,14
-16,20,25H,6-12H2,(H,21,23)/t14-,15-,16-/m0/s1 |
InChIKey | XKPUKZQRNSFQLM-JYJNAYRXSA-N |
2D Structure | ![](./image/EGIN0001171.png) | Structure Backbone | ![](./frame/f_EGIN0001171.png) |
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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 |
16108943
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Drug Bank Link | - |
ChemSpider Link | 17266360 |
ChEMBL Link | CHEMBL221698 |