8-OH-DPAT   Click here for help

GtoPdb Ligand ID: 7

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 23.47
Molecular weight 247.19
XLogP 3.33
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCN(C1CCc2c(C1)c(O)ccc2)CCC
Isomeric SMILES CCCN(C1CCc2c(C1)c(O)ccc2)CCC
InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
InChI Key ASXGJMSKWNBENU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
Database Links Click here for help
CAS Registry No. 78950-78-4 (source: Scifinder)
ChEBI CHEBI:73364
ChEMBL Ligand CHEMBL56
GtoPdb PubChem SID 135649864
PubChem CID 1220
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Wikipedia 8-OH-DPAT