General Property |
Molceule ID (DB) | EGIN0001172 |
Inhibitor Class | Azaspiro-octane |
Molecule Name in Refrence Article | 19 compound |
IUPAC Name | (6S,7S)-N-hydroxy-6-[(3-phenyl-2,5-dihydro-1H-pyrrol-1-yl)carbonyl]-5-azaspiro[2.5]octane-7-carboxamide |
Formula | C19H23N3O3 |
Mass | 341.4042 |
Exact Mass | 341.1739416 |
Composition | C (66.84%), H (6.79%), N (12.31%), O (14.06%) |
Atom Count | 48 |
PI | 8.36 |
Smiles | [C@H]1([C@H](NCC2(C1)CC2)C(=O)N1CC(=CC1)c1ccccc1)C(=O)NO |
InChI | 1S/C19H23N3O3/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/h1-6,15
-16,20,25H,7-12H2,(H,21,23)/t15-,16-/m0/s1 |
InChIKey | ZCDHAHOTIYZFKF-HOTGVXAUSA-N |
2D Structure | ![](./image/EGIN0001172.png) | Structure Backbone | ![](./frame/f_EGIN0001172.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 |
16108951
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Drug Bank Link | - |
ChemSpider Link | 17266368 |
ChEMBL Link | CHEMBL375418 |