5X0

~{N}-methyl-2-(oxan-4-yloxy)-5-(2-oxidanylidene-2-phenylazanyl-ethoxy)benzamide

Created:	2015-12-17
Last modified:	2016-01-13

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1 entries where 5X0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	0
Bond Count	54
Aromatic Bond Count	12

2D diagram of 5X0

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Chemical Component Summary
Name	~{N}-methyl-2-(oxan-4-yloxy)-5-(2-oxidanylidene-2-phenylazanyl-ethoxy)benzamide
Systematic Name (OpenEye OEToolkits)	~{N}-methyl-2-(oxan-4-yloxy)-5-(2-oxidanylidene-2-phenylazanyl-ethoxy)benzamide
Formula	C₂₁ H₂₄ N₂ O₅
Molecular Weight	384.426
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNC(=O)c1cc(OCC(=O)Nc2ccccc2)ccc1OC3CCOCC3
SMILES	OpenEye OEToolkits	2.0.4	CNC(=O)c1cc(ccc1OC2CCOCC2)OCC(=O)Nc3ccccc3
Canonical SMILES	CACTVS	3.385	CNC(=O)c1cc(OCC(=O)Nc2ccccc2)ccc1OC3CCOCC3
Canonical SMILES	OpenEye OEToolkits	2.0.4	CNC(=O)c1cc(ccc1OC2CCOCC2)OCC(=O)Nc3ccccc3
InChI	InChI	1.03	InChI=1S/C21H24N2O5/c1-22-21(25)18-13-17(7-8-19(18)28-16-9-11-26-12-10-16)27-14-20(24)23-15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3,(H,22,25)(H,23,24)
InChIKey	InChI	1.03	OLSMYKUQDJESEU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	105539871
ChEMBL	CHEMBL3775323

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.