General Property |
Molceule ID (DB) | EGIN0000415 |
Inhibitor Class | Cinnamic acid metronidazole ester |
Molecule Name in Refrence Article | 3c compound |
IUPAC Name | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl (2E)-3-(4-bromophenyl)prop-2-enoate |
Formula | C15H14BrN3O4 |
Mass | 380.193 |
Exact Mass | 379.0167686 |
Composition | C (47.39%), H (3.71%), Br (21.02%), N (11.05%), O (16.83%) |
Atom Count | 37 |
PI | 11.76 |
Smiles | c1cc(ccc1/C=C/C(=O)OCCn1c(ncc1N(=O)=O)C)Br |
InChI | 1S/C15H14BrN3O4/c1-11-17-10-14(19(21)22)18(11)8-9-23-15(20)7-4-12-2-5-13(16)6-3-12/h2-7,10H,8-9H2,1H
3/b7-4+ |
InChIKey | PTSBVBCAYLTQNL-QPJJXVBHSA-N |
2D Structure | ![](./image/EGIN0000415.png) | Structure Backbone | ![](./frame/f_EGIN0000415.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 | 25049472 |
ChEMBL Link | CHEMBL1173651 |