Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000422
Inhibitor ClassCinnamic acid metronidazole ester
Molecule Name in Refrence Article3j compound
IUPAC Name2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl (2E)-3-(2-fluorophenyl)prop-2-enoate
FormulaC15H14FN3O4
Mass319.2878
Exact Mass319.0968342
Composition C (56.43%), H (4.42%), F (5.95%), N (13.16%), O (20.04%)
Atom Count37
PI11.33
Smilesc1(ccccc1/C=C/C(=O)OCCn1c(ncc1N(=O)=O)C)F
InChI1S/C15H14FN3O4/c1-11-17-10-14(19(21)22)18(11)8-9-23-15(20)7-6-12-4-2-3-5-13(12)16/h2-7,10H,8-9H2,1H3
/b7-6+
InChIKeyNRCCVAAPDNQWEP-VOTSOKGWSA-N
2D Structure
Structure Backbone
View Structure in JmolClick to view 3 d structure                            Download Mol File
Drug Like PropertyDruglikeliness
Symmetry & GeometrySymmetry And Geometrical Information
Activity & Binding Activity against isoform and covalant binding information
Topological PropertiesDescriptors
Reference20594859
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 25038833
ChEMBL Link CHEMBL1172877
 
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