ZU4

1-(2-CHLOROBENZYL)-4-HEXYLPYRIDIN-2(1H)-ONE

Created:	2011-07-13
Last modified:	2014-09-05

Find Related PDB Entry
1 entries where ZU4 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	43
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	6

2D diagram of ZU4

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1-(2-CHLOROBENZYL)-4-HEXYLPYRIDIN-2(1H)-ONE
Systematic Name (OpenEye OEToolkits)	1-[(2-chlorophenyl)methyl]-4-hexyl-pyridin-2-one
Formula	C₁₈ H₂₂ Cl N O
Molecular Weight	303.826
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1c(cccc1)CN2C=CC(=CC2=O)CCCCCC
SMILES	CACTVS	3.385	CCCCCCC1=CC(=O)N(Cc2ccccc2Cl)C=C1
SMILES	OpenEye OEToolkits	1.9.2	CCCCCCC1=CC(=O)N(C=C1)Cc2ccccc2Cl
Canonical SMILES	CACTVS	3.385	CCCCCCC1=CC(=O)N(Cc2ccccc2Cl)C=C1
Canonical SMILES	OpenEye OEToolkits	1.9.2	CCCCCCC1=CC(=O)N(C=C1)Cc2ccccc2Cl
InChI	InChI	1.03	InChI=1S/C18H22ClNO/c1-2-3-4-5-8-15-11-12-20(18(21)13-15)14-16-9-6-7-10-17(16)19/h6-7,9-13H,2-5,8,14H2,1H3
InChIKey	InChI	1.03	PJBRBZYHOXOPFM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	54765333

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.