E3E

5-cyclopropyl-8-fluoranyl-7-pyridin-4-yl-imidazo[1,2-a]quinoxalin-4-one

Created:	2018-02-15
Last modified:	2018-04-04

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1 entries where E3E is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	17

2D diagram of E3E

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Chemical Component Summary
Name	5-cyclopropyl-8-fluoranyl-7-pyridin-4-yl-imidazo[1,2-a]quinoxalin-4-one
Systematic Name (OpenEye OEToolkits)	5-cyclopropyl-8-fluoranyl-7-pyridin-4-yl-imidazo[1,2-a]quinoxalin-4-one
Formula	C₁₈ H₁₃ F N₄ O
Molecular Weight	320.32
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Fc1cc2n3ccnc3C(=O)N(C4CC4)c2cc1c5ccncc5
SMILES	OpenEye OEToolkits	2.0.6	c1cnccc1c2cc3c(cc2F)-n4ccnc4C(=O)N3C5CC5
Canonical SMILES	CACTVS	3.385	Fc1cc2n3ccnc3C(=O)N(C4CC4)c2cc1c5ccncc5
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cnccc1c2cc3c(cc2F)-n4ccnc4C(=O)N3C5CC5
InChI	InChI	1.03	InChI=1S/C18H13FN4O/c19-14-10-15-16(9-13(14)11-3-5-20-6-4-11)23(12-1-2-12)18(24)17-21-7-8-22(15)17/h3-10,12H,1-2H2
InChIKey	InChI	1.03	UZAPAHIWOLYIFO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	132473043
ChEMBL	CHEMBL4203118

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.