General Property |
Molceule ID (DB) | EGIN0000427 |
Inhibitor Class | Cinnamic acid metronidazole ester |
Molecule Name in Refrence Article | 3o compound |
IUPAC Name | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl (2E)-3-(3-nitrophenyl)prop-2-enoate |
Formula | C15H14N4O6 |
Mass | 346.2949 |
Exact Mass | 346.0913342 |
Composition | C (52.03%), H (4.07%), N (16.18%), O (27.72%) |
Atom Count | 39 |
PI | 11.57 |
Smiles | c1c(cccc1/C=C/C(=O)OCCn1c(ncc1N(=O)=O)C)N(=O)=O |
InChI | 1S/C15H14N4O6/c1-11-16-10-14(19(23)24)17(11)7-8-25-15(20)6-5-12-3-2-4-13(9-12)18(21)22/h2-6,9-10H,7-
8H2,1H3/b6-5+ |
InChIKey | DDFVEPVOFUZFCZ-AATRIKPKSA-N |
2D Structure | ![](./image/EGIN0000427.png) | Structure Backbone | ![](./frame/f_EGIN0000427.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 | 25038647 |
ChEMBL Link | CHEMBL1172950 |