General Property |
Molceule ID (DB) | EGIN0000418 |
Inhibitor Class | Cinnamic acid metronidazole ester |
Molecule Name in Refrence Article | 3f compound |
IUPAC Name | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl (2E)-3-(4-methoxyphenyl)prop-2-enoate |
Formula | C16H17N3O5 |
Mass | 331.3233 |
Exact Mass | 331.1168207 |
Composition | C (58%), H (5.17%), N (12.68%), O (24.14%) |
Atom Count | 41 |
PI | 11.87 |
Smiles | c1cc(ccc1/C=C/C(=O)OCCn1c(ncc1N(=O)=O)C)OC |
InChI | 1S/C16H17N3O5/c1-12-17-11-15(19(21)22)18(12)9-10-24-16(20)8-5-13-3-6-14(23-2)7-4-13/h3-8,11H,9-10H2,
1-2H3/b8-5+ |
InChIKey | BUHRXTFCHFVRAR-VMPITWQZSA-N |
2D Structure | ![](./image/EGIN0000418.png) | Structure Backbone | ![](./frame/f_EGIN0000418.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 |
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Drug Bank Link | - |
ChemSpider Link | 25039981 |
ChEMBL Link | CHEMBL1173713 |