(+)-AJ76

Ligand id: 970

Name: (+)-AJ76

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 21.26
Molecular weight 233.18
XLogP 3.53
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
(1S,2R)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
Database Links
BindingDB Ligand 50041959
CAS Registry No. 85379-09-5 (source: Scifinder)
ChEMBL Ligand CHEMBL27441
GtoPdb PubChem SID 135649912
PubChem CID 122334
Search Google for chemical match using the InChIKey YGHLYBIUVOLKCV-SMDDNHRTSA-N
Search Google for chemicals with the same backbone YGHLYBIUVOLKCV
Search UniChem for chemical match using the InChIKey YGHLYBIUVOLKCV-SMDDNHRTSA-N
Search UniChem for chemicals with the same backbone YGHLYBIUVOLKCV