General Property |
Molceule ID (DB) | EGIN0001269 |
Inhibitor Class | Chrysin |
Molecule Name in Refrence Article | 18 compound |
IUPAC Name | N-dodecyl-2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetamide |
Formula | C29H37NO5 |
Mass | 479.6078 |
Exact Mass | 479.2671733 |
Composition | C (72.62%), H (7.78%), N (2.92%), O (16.68%) |
Atom Count | 72 |
PI | 1.82 |
Smiles | c12c(c(cc(c1)OCC(=O)NCCCCCCCCCCCC)O)c(=O)cc(o2)c1ccccc1 |
InChI | 1S/C29H37NO5/c1-2-3-4-5-6-7-8-9-10-14-17-30-28(33)21-34-23-18-24(31)29-25(32)20-26(35-27(29)19-23)22
-15-12-11-13-16-22/h11-13,15-16,18-20,31H,2-10,14,17,21H2,1H3,(H,30,33) |
InChIKey | IAGJQFPVZNCGIJ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001269.png) | Structure Backbone | ![](./frame/f_EGIN0001269.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 | 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 |
46231819
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Drug Bank Link | - |
ChemSpider Link | 24650414 |
ChEMBL Link | CHEMBL597914 |