43G

1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one

Created:	2015-01-26
Last modified:	2015-04-15

Find Related PDB Entry
1 entries where 43G is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	12

2D diagram of 43G

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one
Systematic Name (OpenEye OEToolkits)	3-oxidanyl-1-(3-phenylphenyl)pyridin-4-one
Formula	C₁₇ H₁₃ N O₂
Molecular Weight	263.291
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C3C=CN(c2cccc(c1ccccc1)c2)C=C3O
SMILES	CACTVS	3.385	OC1=CN(C=CC1=O)c2cccc(c2)c3ccccc3
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)c2cccc(c2)N3C=CC(=O)C(=C3)O
Canonical SMILES	CACTVS	3.385	OC1=CN(C=CC1=O)c2cccc(c2)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)c2cccc(c2)N3C=CC(=O)C(=C3)O
InChI	InChI	1.03	InChI=1S/C17H13NO2/c19-16-9-10-18(12-17(16)20)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12,20H
InChIKey	InChI	1.03	IAMQYYMWXQPFDC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3425734
PubChem	53380912
ChEMBL	CHEMBL3425734

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.