GWS

2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide

Created:	2018-06-01
Last modified:	2018-07-18

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3 entries where GWS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	6

2D diagram of GWS

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Chemical Component Summary
Name	2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide
Systematic Name (OpenEye OEToolkits)	2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide
Formula	C₁₃ H₁₈ N₂ O
Molecular Weight	218.295
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C(CC1CCCCC1)Nc2cccnc2
SMILES	OpenEye OEToolkits	2.0.6	c1cc(cnc1)NC(=O)CC2CCCCC2
Canonical SMILES	CACTVS	3.385	O=C(CC1CCCCC1)Nc2cccnc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(cnc1)NC(=O)CC2CCCCC2
InChI	InChI	1.03	InChI=1S/C13H18N2O/c16-13(9-11-5-2-1-3-6-11)15-12-7-4-8-14-10-12/h4,7-8,10-11H,1-3,5-6,9H2,(H,15,16)
InChIKey	InChI	1.03	SIURWXONEBYXJD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1072430

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.