EWJ

5-(3-fluoro-1H-pyrazol-4-yl)-2-[(naphthalen-2-yl)oxy]benzoic acid

Created:	2018-02-06
Last modified:	2018-04-04

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1 entries where EWJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	22

2D diagram of EWJ

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Chemical Component Summary
Name	5-(3-fluoro-1H-pyrazol-4-yl)-2-[(naphthalen-2-yl)oxy]benzoic acid
Systematic Name (OpenEye OEToolkits)	5-(3-fluoranyl-1~{H}-pyrazol-4-yl)-2-naphthalen-2-yloxy-benzoic acid
Formula	C₂₀ H₁₃ F N₂ O₃
Molecular Weight	348.327
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3cccc4cc(Oc1ccc(cc1C(O)=O)c2cnnc2F)ccc34
SMILES	CACTVS	3.385	OC(=O)c1cc(ccc1Oc2ccc3ccccc3c2)c4c[nH]nc4F
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4F
Canonical SMILES	CACTVS	3.385	OC(=O)c1cc(ccc1Oc2ccc3ccccc3c2)c4c[nH]nc4F
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4F
InChI	InChI	1.03	InChI=1S/C20H13FN2O3/c21-19-17(11-22-23-19)14-6-8-18(16(10-14)20(24)25)26-15-7-5-12-3-1-2-4-13(12)9-15/h1-11H,(H,22,23)(H,24,25)
InChIKey	InChI	1.03	DLVKEINOBWQQLX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4218738
PubChem	132473015
ChEMBL	CHEMBL4218738

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.