43H

[1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid

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

Find Related PDB Entry
1 entries where 43H 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	37
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	12

2D diagram of 43H

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	[1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid
Systematic Name (OpenEye OEToolkits)	[5-oxidanyl-4-oxidanylidene-1-(3-phenylphenyl)pyridin-3-yl]boronic acid
Formula	C₁₇ H₁₄ B N O₄
Molecular Weight	307.108
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C3C(=CN(c2cccc(c1ccccc1)c2)C=C3O)B(O)O
SMILES	CACTVS	3.385	OB(O)C1=CN(C=C(O)C1=O)c2cccc(c2)c3ccccc3
SMILES	OpenEye OEToolkits	1.9.2	B(C1=CN(C=C(C1=O)O)c2cccc(c2)c3ccccc3)(O)O
Canonical SMILES	CACTVS	3.385	OB(O)C1=CN(C=C(O)C1=O)c2cccc(c2)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.9.2	B(C1=CN(C=C(C1=O)O)c2cccc(c2)c3ccccc3)(O)O
InChI	InChI	1.03	InChI=1S/C17H14BNO4/c20-16-11-19(10-15(17(16)21)18(22)23)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11,20,22-23H
InChIKey	InChI	1.03	RJVMGRMKRJSOAH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3425744
PubChem	53379376
ChEMBL	CHEMBL3425744

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.