ARC-239   Click here for help

GtoPdb Ligand ID: 524

Synonyms: AR-C239 | ARC239
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 49.85
Molecular weight 406.23
XLogP 3.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C
Isomeric SMILES COc1ccccc1N1CCN(CC1)CCC1C(=O)c2ccccc2C(C1=O)(C)C
InChI InChI=1S/C25H30N2O3/c1-25(2)20-9-5-4-8-18(20)23(28)19(24(25)29)12-13-26-14-16-27(17-15-26)21-10-6-7-11-22(21)30-3/h4-11,19H,12-17H2,1-3H3
InChI Key OSEADGVOKYGIER-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-4,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,3-dione
Synonyms Click here for help
AR-C239 | ARC239
Database Links Click here for help
BindingDB Ligand 81772
GtoPdb PubChem SID 135649952
PubChem CID 122211
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