General Property |
Molceule ID (DB) | EGIN0000416 |
Inhibitor Class | Cinnamic acid metronidazole ester |
Molecule Name in Refrence Article | 3d compound |
IUPAC Name | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl (2E)-3-phenylprop-2-enoate |
Formula | C15H15N3O4 |
Mass | 301.2973 |
Exact Mass | 301.106256 |
Composition | C (59.79%), H (5.02%), N (13.95%), O (21.24%) |
Atom Count | 37 |
PI | 11.78 |
Smiles | c1ccccc1/C=C/C(=O)OCCn1c(ncc1N(=O)=O)C |
InChI | 1S/C15H15N3O4/c1-12-16-11-14(18(20)21)17(12)9-10-22-15(19)8-7-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3/b8
-7+ |
InChIKey | RHVQGNOZEPBSSD-BQYQJAHWSA-N |
2D Structure | ![](./image/EGIN0000416.png) | Structure Backbone | ![](./frame/f_EGIN0000416.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 | 20594859 |
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 |
10614224
|
Drug Bank Link | - |
ChemSpider Link | 8789590 |
ChEMBL Link | CHEMBL1173652 |