ADX71743   Click here for help

GtoPdb Ligand ID: 6217

Synonyms: ADX 71743 | ADX-71743
Compound class: Synthetic organic
Comment: ADX71743 is a negative allosteric modulator (NAM) of mGlu7 [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 43.1
Molecular weight 269.14
XLogP 2.9
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCc1nc2c(o1)CC(CC2=O)c1ccc(cc1C)C
Isomeric SMILES CCc1nc2c(o1)CC(CC2=O)c1ccc(cc1C)C
InChI InChI=1S/C17H19NO2/c1-4-16-18-17-14(19)8-12(9-15(17)20-16)13-6-5-10(2)7-11(13)3/h5-7,12H,4,8-9H2,1-3H3
InChI Key CPKZCQHJDFSOJT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-(2,4-dimethylphenyl)-2-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-4-one
Synonyms Click here for help
ADX 71743 | ADX-71743
Database Links Click here for help
CAS Registry No. 1431641-29-0 (source: Scifinder)
GtoPdb PubChem SID 178102838
PubChem CID 53391766
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UniChem Compound Search for chemical match using the InChIKey CPKZCQHJDFSOJT-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey CPKZCQHJDFSOJT-UHFFFAOYSA-N

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Tocris
(±)-ADX 71743 (links to external site)
Cat. No. 5715