Record No. 1 of 1

ID3214
NameSDZ ISQ 844
Pubchem ID132565
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionPhosphodiesterase isoenzyme III/IV inhibitor
Drug Like PropertiesYes
Molecular Weight357.40
Exact mass357.157623
Molecular formulaC20H23NO5
XlogP2.5
Topological Polar Surface Area69.5
H-Bond Donor1
H-Bond Acceptor6
Rotational Bond Count6
IUPAC Name[(3S)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=CC(=CC(=C1)C2=NC(CC3=CC(=C(C=C32)OC)OC)CO)OC
Isomeric SMILECOC1=CC(=CC(=C1)C2=N[C@@H](CC3=CC(=C(C=C32)OC)OC)CO)OC
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