43J

2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3H)-one

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

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1 entries where 43J is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	12

2D diagram of 43J

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Chemical Component Summary
Name	2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3H)-one
Systematic Name (OpenEye OEToolkits)	3-methyl-5-oxidanyl-2-(3-phenylphenyl)pyrimidin-4-one
Formula	C₁₇ H₁₄ N₂ O₂
Molecular Weight	278.305
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C3C(O)=CN=C(c2cccc(c1ccccc1)c2)N3C
SMILES	CACTVS	3.385	CN1C(=O)C(=CN=C1c2cccc(c2)c3ccccc3)O
SMILES	OpenEye OEToolkits	1.9.2	CN1C(=NC=C(C1=O)O)c2cccc(c2)c3ccccc3
Canonical SMILES	CACTVS	3.385	CN1C(=O)C(=CN=C1c2cccc(c2)c3ccccc3)O
Canonical SMILES	OpenEye OEToolkits	1.9.2	CN1C(=NC=C(C1=O)O)c2cccc(c2)c3ccccc3
InChI	InChI	1.03	InChI=1S/C17H14N2O2/c1-19-16(18-11-15(20)17(19)21)14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-11,20H,1H3
InChIKey	InChI	1.03	XFQLJHLLJPLAPL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3425743
PubChem	69929269
ChEMBL	CHEMBL3425743

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.