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Summary Geometry Related PDB entries

43H

Summary

Name:	[1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid
Formula:	C17 H14 B N O4
Formal charge:	0
Formula weight:	307.108 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	[1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid
OpenEye OEToolkits	1.9.2	[5-oxidanyl-4-oxidanylidene-1-(3-phenylphenyl)pyridin-3-yl]boronic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C3C(=CN(c2cccc(c1ccccc1)c2)C=C3O)B(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
SMILES_CANONICAL	CACTVS	3.385	OB(O)C1=CN(C=C(O)C1=O)c2cccc(c2)c3ccccc3
SMILES	CACTVS	3.385	OB(O)C1=CN(C=C(O)C1=O)c2cccc(c2)c3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	B(C1=CN(C=C(C1=O)O)c2cccc(c2)c3ccccc3)(O)O
SMILES	OpenEye OEToolkits	1.9.2	B(C1=CN(C=C(C1=O)O)c2cccc(c2)c3ccccc3)(O)O

222415

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