F5R

4-bromanylbenzenecarboximidamide

Created:	2020-04-01
Last modified:	2021-03-01

Find Related PDB Entry
3 entries where F5R is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	6

2D diagram of F5R

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-bromanylbenzenecarboximidamide
Synonyms	4-Bromobenzamidine
Systematic Name (OpenEye OEToolkits)	4-bromanylbenzenecarboximidamide
Formula	C₇ H₇ Br N₂
Molecular Weight	199.048
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=N)c1ccc(Br)cc1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C(=N)N)Br
Canonical SMILES	CACTVS	3.385	NC(=N)c1ccc(Br)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	[H]/N=C(\c1ccc(cc1)Br)/N
InChI	InChI	1.03	InChI=1S/C7H7BrN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)
InChIKey	InChI	1.03	JODFDXUBCBQKNC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	4436571

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.