0LY

N-(4-bromophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide

Created:	2012-02-27
Last modified:	2020-06-05

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2 entries where 0LY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	6

2D diagram of 0LY

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Chemical Component Summary
Name	N-(4-bromophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide
Synonyms	NBD-557
Systematic Name (OpenEye OEToolkits)	N-(4-bromophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide
Formula	C₁₇ H₂₄ Br N₃ O₂
Molecular Weight	382.295
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Brc1ccc(cc1)NC(=O)C(=O)NC2CC(NC(C)(C)C2)(C)C
SMILES	CACTVS	3.370	CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc2ccc(Br)cc2
SMILES	OpenEye OEToolkits	1.7.6	CC1(CC(CC(N1)(C)C)NC(=O)C(=O)Nc2ccc(cc2)Br)C
Canonical SMILES	CACTVS	3.370	CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc2ccc(Br)cc2
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC1(CC(CC(N1)(C)C)NC(=O)C(=O)Nc2ccc(cc2)Br)C
InChI	InChI	1.03	InChI=1S/C17H24BrN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23)
InChIKey	InChI	1.03	QQRFLGRIDNNARB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5279270
ChEMBL	CHEMBL594768

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.