ZRL

7-BROMO-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE

Created:	2011-06-17
Last modified:	2023-09-23

Find Related PDB Entry
1 entries where ZRL 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	24
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	11

2D diagram of ZRL

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	7-BROMO-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE
Systematic Name (OpenEye OEToolkits)	7-bromanyl-2-pyridin-4-yl-5~{H}-thieno[3,2-c]pyridin-4-one
Formula	C₁₂ H₇ Br N₂ O S
Molecular Weight	307.166
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	BrC1=CNC(=O)c2cc(sc12)c3ccncc3
SMILES	OpenEye OEToolkits	2.0.7	c1cnccc1c2cc3c(s2)C(=CNC3=O)Br
Canonical SMILES	CACTVS	3.385	BrC1=CNC(=O)c2cc(sc12)c3ccncc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cnccc1c2cc3c(s2)C(=CNC3=O)Br
InChI	InChI	1.06	InChI=1S/C12H7BrN2OS/c13-9-6-15-12(16)8-5-10(17-11(8)9)7-1-3-14-4-2-7/h1-6H,(H,15,16)
InChIKey	InChI	1.06	YFBJHINTWOTPAK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	53245730
ChEMBL	CHEMBL1738952

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.