Record No. 1 of 3

ID1019
Name1-(4-aminobenzyl)isoquinoline
Pubchem ID205985
KEGG IDN/A
SourceChemical Synthesis
TypeUnknown
FunctionPhosphodiesterase inhibitor
Drug Like PropertiesYes
Molecular Weight234.30
Exact mass234.115698
Molecular formulaC16H14N2
XlogP3.7
Topological Polar Surface Area38.9
H-Bond Donor1
H-Bond Acceptor2
Rotational Bond Count2
IUPAC Name4-(phenylmethyl)isoquinolin-1-amine
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC1=CC=C(C=C1)CC2=CN=C(C3=CC=CC=C32)N
Isomeric SMILEN/A
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 2 of 3

ID1020
Name1-(4-aminophenyl)isoquinoline
Pubchem ID205988
KEGG IDN/A
SourceChemical Synthesis
TypeUnknown
FunctionPhosphodiesterase inhibitor
Drug Like PropertiesYes
Molecular Weight220.27
Exact mass220.100048
Molecular formulaC15H12N2
XlogP3.1
Topological Polar Surface Area38.9
H-Bond Donor1
H-Bond Acceptor2
Rotational Bond Count1
IUPAC Name4-isoquinolin-1-ylaniline
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC1=CC=C2C(=C1)C=CN=C2C3=CC=C(C=C3)N
Isomeric SMILEN/A
Drugpediawiki
References1. Source  
2. Function  
3. All Records  
Record No. 3 of 3

ID2917
NamePapaveroline sulfonic acid
Pubchem ID171804
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionPhosphodiesterase inhibitor
Drug Like PropertiesYes
Molecular Weight363.34
Exact mass363.041272
Molecular formulaC16H13NO7S
XlogP0.9
Topological Polar Surface Area144
H-Bond Donor5
H-Bond Acceptor8
Rotational Bond Count3
IUPAC Name2,3-dihydroxy-4-[(7-hydroxy-6-oxo-2H-isoquinolin-1-yl)methyl]benzenesulfonic acid
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC1=CC(=C(C(=C1CC2=C3C=C(C(=O)C=C3C=CN2)O)O)O)S(=O)(=O)O
Isomeric SMILEN/A
Drugpediawiki
References1. Source  
2. Function  
3. All Records