5-benzyloxytryptamine   Click here for help

GtoPdb Ligand ID: 265

Abbreviated name: 5-BT
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 2
Rotatable bonds 5
Topological polar surface area 51.04
Molecular weight 266.14
XLogP 3.04
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCCc1c[nH]c2c1cc(OCc1ccccc1)cc2
Isomeric SMILES NCCc1c[nH]c2c1cc(OCc1ccccc1)cc2
InChI InChI=1S/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2
InChI Key WKPDXBXNJWWWGQ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[5-(phenylmethoxy)-1H-indol-3-yl]ethanamine
Database Links Click here for help
BindingDB Ligand 50331284
CAS Registry No. 20776-45-8
ChEMBL Ligand CHEMBL1288652
GtoPdb PubChem SID 135649825
PubChem CID 89576
Search Google for chemical match using the InChIKey WKPDXBXNJWWWGQ-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey WKPDXBXNJWWWGQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WKPDXBXNJWWWGQ
Wikipedia 5-Benzyloxytryptamine