88E

4-[2-(5-methyl-1-naphthalen-2-yl-pyrazol-3-yl)oxyethyl]morpholine

Created:	2021-11-29
Last modified:	2022-03-16

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2 entries where 88E is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	16

2D diagram of 88E

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Chemical Component Summary
Name	4-[2-(5-methyl-1-naphthalen-2-yl-pyrazol-3-yl)oxyethyl]morpholine
Synonyms	S1RA
Systematic Name (OpenEye OEToolkits)	4-[2-(5-methyl-1-naphthalen-2-yl-pyrazol-3-yl)oxyethyl]morpholine
Formula	C₂₀ H₂₃ N₃ O₂
Molecular Weight	337.416
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1cc(OCCN2CCOCC2)nn1c3ccc4ccccc4c3
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nn1c2ccc3ccccc3c2)OCCN4CCOCC4
Canonical SMILES	CACTVS	3.385	Cc1cc(OCCN2CCOCC2)nn1c3ccc4ccccc4c3
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nn1c2ccc3ccccc3c2)OCCN4CCOCC4
InChI	InChI	1.03	InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3
InChIKey	InChI	1.03	DGPGXHRHNRYVDH-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB16881
Name	E-52862
Groups	investigational
Synonyms	E-52862
Categories	Oxazines Receptors, sigma, antagonists & inhibitors
CAS number	878141-96-9

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2170062
PubChem	44247568
ChEMBL	CHEMBL2170062

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.