H50

1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarboxylic acid

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is present as a standalone ligand in 3 entries

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Chemical Component Summary
Name	1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarboxylic acid
Identifiers	1-[4-(3,4-dichlorophenyl)-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid
Formula	C₁₆ H₁₁ Cl₂ F O₂
Molecular Weight	325.162
Type	NON-POLYMER
Isomeric SMILES	c1cc(c(cc1c2ccc(cc2F)C3(CC3)C(=O)O)Cl)Cl
InChI	InChI=1S/C16H11Cl2FO2/c17-12-4-1-9(7-13(12)18)11-3-2-10(8-14(11)19)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21)
InChIKey	LIYLTQQDABRNRX-UHFFFAOYSA-N

Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	12

Drug Info: DrugBank

DrugBank ID	DB16825 ?
Name	Itanapraced
Groups	investigational
Synonyms	Itanapraced
Categories	Acids, Acyclic Amyloid Precursor Protein Secretases, antagonists & inhibitors Benzene Derivatives Biphenyl Compounds Cycloparaffins Enzyme Inhibitors Gamma Secretase Inhibitors and Modulators Propionates
CAS number	749269-83-8

Related Resource References

Resource Name	Reference
PubChem	9996409
ChEMBL	CHEMBL196945

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.