ONG

{3-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-4-hydroxyphenyl}(1,3-dihydro-2H-isoindol-2-yl)methanone

Created:	2019-07-01
Last modified:	2021-03-03

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1 entries where ONG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	52
Aromatic Bond Count	18

2D diagram of ONG

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Chemical Component Summary
Name	{3-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfanyl]-4-hydroxyphenyl}(1,3-dihydro-2H-isoindol-2-yl)methanone
Systematic Name (OpenEye OEToolkits)	[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-4-oxidanyl-phenyl]-(1,3-dihydroisoindol-2-yl)methanone
Formula	C₂₃ H₁₉ N O₄ S
Molecular Weight	405.466
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c54CN(C(c1cc(c(cc1)O)Sc2cc3c(cc2)OCCO3)=O)Cc4cccc5
SMILES	CACTVS	3.385	Oc1ccc(cc1Sc2ccc3OCCOc3c2)C(=O)N4Cc5ccccc5C4
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)CN(C2)C(=O)c3ccc(c(c3)Sc4ccc5c(c4)OCCO5)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(cc1Sc2ccc3OCCOc3c2)C(=O)N4Cc5ccccc5C4
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)CN(C2)C(=O)c3ccc(c(c3)Sc4ccc5c(c4)OCCO5)O
InChI	InChI	1.03	InChI=1S/C23H19NO4S/c25-19-7-5-15(23(26)24-13-16-3-1-2-4-17(16)14-24)11-22(19)29-18-6-8-20-21(12-18)28-10-9-27-20/h1-8,11-12,25H,9-10,13-14H2
InChIKey	InChI	1.03	GNTZGEZCMHJEGG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155804469

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.