F4N

~{N}-[(~{E})-(6-bromanylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-~{N},2-dimethyl-5-nitro-benzenesulfonamide

Created:	2018-05-29
Last modified:	2018-06-20

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1 entries where F4N is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	16

2D diagram of F4N

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Chemical Component Summary
Name	~{N}-[(~{E})-(6-bromanylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-~{N},2-dimethyl-5-nitro-benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	~{N}-[(~{E})-(6-bromanylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-~{N},2-dimethyl-5-nitro-benzenesulfonamide
Formula	C₁₆ H₁₄ Br N₅ O₄ S
Molecular Weight	452.282
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN(N=Cc1cnc2ccc(Br)cn12)[S](=O)(=O)c3cc(ccc3C)[N+]([O-])=O
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1S(=O)(=O)N(C)N=Cc2cnc3n2cc(cc3)Br)[N+](=O)[O-]
Canonical SMILES	CACTVS	3.385	CN(/N=C/c1cnc2ccc(Br)cn12)[S](=O)(=O)c3cc(ccc3C)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1S(=O)(=O)N(C)/N=C/c2cnc3n2cc(cc3)Br)[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+
InChIKey	InChI	1.03	QTHCAAFKVUWAFI-DJKKODMXSA-N

Drug Info: DrugBank

DrugBank ID	DB17047
Name	PIK-75
Groups	investigational
Description	PIK-75 is a preferential p110 alpha/gamma PI3K inhibitor.[A253097]
Synonyms	Benzenesulfonic acid, 2-methyl-5-nitro-, 2-((6-bromoimidazo(1,2-a)pyridin-3-yl)methylene)-1-methylhydrazide PIK-75
Categories	Amides Hydrazines Phosphatidylinositol 3-Kinases, antagonists & inhibitors Sulfones Sulfur Compounds
CAS number	945619-31-8

Related Resource References

Resource Name	Reference
Pharos	CHEMBL393525
PubChem	10275789
ChEMBL	CHEMBL393525
ChEBI	CHEBI:94827

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.