S07

2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone

Created:	2020-03-03
Last modified:	2020-07-01

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3 entries where S07 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	6

2D diagram of S07

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Chemical Component Summary
Name	2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone
Systematic Name (OpenEye OEToolkits)	2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone
Formula	C₁₄ H₁₉ N O₃
Molecular Weight	249.306
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc(OCC(=O)N2CCOCC2)c(C)c1
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(c(c1)C)OCC(=O)N2CCOCC2
Canonical SMILES	CACTVS	3.385	Cc1ccc(OCC(=O)N2CCOCC2)c(C)c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(c(c1)C)OCC(=O)N2CCOCC2
InChI	InChI	1.03	InChI=1S/C14H19NO3/c1-11-3-4-13(12(2)9-11)18-10-14(16)15-5-7-17-8-6-15/h3-4,9H,5-8,10H2,1-2H3
InChIKey	InChI	1.03	SPKPARPPRVMDOW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	876380
ChEMBL	CHEMBL394091

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.