General Property |
Molceule ID (DB) | EGIN0001266 |
Inhibitor Class | Chrysin |
Molecule Name in Refrence Article | 15 compound |
IUPAC Name | 2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]-N-octylacetamide |
Formula | C25H29NO5 |
Mass | 423.5015 |
Exact Mass | 423.204573 |
Composition | C (70.9%), H (6.9%), N (3.31%), O (18.89%) |
Atom Count | 60 |
PI | 1.82 |
Smiles | c12c(c(cc(c1)OCC(=O)NCCCCCCCC)O)c(=O)cc(o2)c1ccccc1 |
InChI | 1S/C25H29NO5/c1-2-3-4-5-6-10-13-26-24(29)17-30-19-14-20(27)25-21(28)16-22(31-23(25)15-19)18-11-8-7-9
-12-18/h7-9,11-12,14-16,27H,2-6,10,13,17H2,1H3,(H,26,29) |
InChIKey | IIOFDVULDRDNMC-UHFFFAOYSA-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 | 20056425 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
46231746
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Drug Bank Link | - |
ChemSpider Link | 24647520 |
ChEMBL Link | CHEMBL597304 |