(+)-ADTN   Click here for help

GtoPdb Ligand ID: 932

Synonyms: (+)-ADTN (aminotetralin-6,7-diol)
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 3
Rotatable bonds 0
Topological polar surface area 66.48
Molecular weight 179.09
XLogP 0.89
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC1CCc2c(C1)cc(c(c2)O)O
Isomeric SMILES NC1CCc2c(C1)cc(c(c2)O)O
InChI InChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2
InChI Key ASXGAOFCKGHGMF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol
Synonyms Click here for help
(+)-ADTN (aminotetralin-6,7-diol)
Database Links Click here for help
BindingDB Ligand 50012969
CAS Registry No. 53463-78-8 (source: Scifinder)
ChEMBL Ligand CHEMBL26736
GtoPdb PubChem SID 135649897
PubChem CID 3153
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