W4Q

1-(2-chloranyl-3,5-dimethoxy-phenyl)-2-(4-fluorophenyl)-3-methyl-6-phenyl-pyridin-4-one

Created:	2023-09-20
Last modified:	2025-11-05

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2 entries where W4Q is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	0
Bond Count	56
Aromatic Bond Count	18

2D diagram of W4Q

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Chemical Component Summary
Name	1-(2-chloranyl-3,5-dimethoxy-phenyl)-2-(4-fluorophenyl)-3-methyl-6-phenyl-pyridin-4-one
Synonyms	IKP104
Systematic Name (OpenEye OEToolkits)	1-(2-chloranyl-3,5-dimethoxy-phenyl)-2-(4-fluorophenyl)-3-methyl-6-phenyl-pyridin-4-one
Formula	C₂₆ H₂₁ Cl F N O₃
Molecular Weight	449.901
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1cc(OC)c(Cl)c(c1)N2C(=CC(=O)C(=C2c3ccc(F)cc3)C)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	CC1=C(N(C(=CC1=O)c2ccccc2)c3cc(cc(c3Cl)OC)OC)c4ccc(cc4)F
Canonical SMILES	CACTVS	3.385	COc1cc(OC)c(Cl)c(c1)N2C(=CC(=O)C(=C2c3ccc(F)cc3)C)c4ccccc4
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC1=C(N(C(=CC1=O)c2ccccc2)c3cc(cc(c3Cl)OC)OC)c4ccc(cc4)F
InChI	InChI	1.06	InChI=1S/C26H21ClFNO3/c1-16-23(30)15-21(17-7-5-4-6-8-17)29(26(16)18-9-11-19(28)12-10-18)22-13-20(31-2)14-24(32-3)25(22)27/h4-15H,1-3H3
InChIKey	InChI	1.06	MYSNSNGSKLLDBP-UHFFFAOYSA-N

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.