5-OH-DPAT   

GtoPdb Ligand ID: 128

Synonyms: 6-dipropylaminotetralin-1-ol
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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
Canonical SMILES CCCN(C1CCc2c(C1)cccc2O)CCC
Isomeric SMILES CCCN(C1CCc2c(C1)cccc2O)CCC
InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3
InChI Key MDBWEQVKJDMEMK-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
6-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
Synonyms
6-dipropylaminotetralin-1-ol
Database Links
BindingDB Ligand 50020221
CAS Registry No. 68593-96-4 (source: Scifinder)
ChEMBL Ligand CHEMBL273273
GtoPdb PubChem SID 135649845
PubChem CID 172267
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