BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2833
NameNSC628305
Pubchem ID363401
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight365.43
Exact mass365.152812
Molecular formulaC24H19N3O
XlogP4.1
Topological Polar Surface Area70.1
H-Bond Donor1
H-Bond Acceptor3
Rotational Bond Count3
IUPAC Name1-[(4-aminophenyl)methyl]-2-(benzoyl)isoquinoline-1-carbonitrile
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(CC4=CC=C(C=C4)N)C#N
Isomeric SMILEN/A
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