(+)-UH232   

GtoPdb Ligand ID: 957

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 12.47
Molecular weight 273.21
XLogP 4.09
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCN(C1C=Cc2c(C1C)cccc2OC)CCC
Isomeric SMILES CCCN([C@@H]1C=Cc2c([C@@H]1C)cccc2OC)CCC
InChI InChI=1S/C18H27NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-11,14,17H,5-6,12-13H2,1-4H3/t14-,17+/m0/s1
InChI Key YNNTVNSZMGTKJL-WMLDXEAASA-N
Classification
Compound class Synthetic organic
IUPAC Name
(1S,2R)-5-methoxy-1-methyl-N,N-dipropyl-1,2-dihydronaphthalen-2-amine
Database Links
GtoPdb PubChem SID 135651297
PubChem CID 5311190
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