5OJ

4-[2-[2-hydroxyethyl(phenyl)amino]-2-oxidanylidene-ethyl]-~{N}-oxidanyl-benzamide

Created:	2015-10-29
Last modified:	2021-03-01

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1 entries where 5OJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	12

2D diagram of 5OJ

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Chemical Component Summary
Name	4-[2-[2-hydroxyethyl(phenyl)amino]-2-oxidanylidene-ethyl]-~{N}-oxidanyl-benzamide
Synonyms	HPOB
Systematic Name (OpenEye OEToolkits)	4-[2-[2-hydroxyethyl(phenyl)amino]-2-oxidanylidene-ethyl]-~{N}-oxidanyl-benzamide
Formula	C₁₇ H₁₈ N₂ O₄
Molecular Weight	314.336
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OCCN(C(=O)Cc1ccc(cc1)C(=O)NO)c2ccccc2
SMILES	OpenEye OEToolkits	2.0.4	c1ccc(cc1)N(CCO)C(=O)Cc2ccc(cc2)C(=O)NO
Canonical SMILES	CACTVS	3.385	OCCN(C(=O)Cc1ccc(cc1)C(=O)NO)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1ccc(cc1)N(CCO)C(=O)Cc2ccc(cc2)C(=O)NO
InChI	InChI	1.03	InChI=1S/C17H18N2O4/c20-11-10-19(15-4-2-1-3-5-15)16(21)12-13-6-8-14(9-7-13)17(22)18-23/h1-9,20,23H,10-12H2,(H,18,22)
InChIKey	InChI	1.03	RFAZNTABYJYOAR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL4066043
PubChem	71532921
ChEMBL	CHEMBL4066043

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.