LigandBoxID:D00721

NAME:Methanthelinium bromide;Methantheline bromide;Banthine
SMILES: CCN(CCOC(c3c1ccccc1oc2ccccc32)=O)(CC)C

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00721

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H26NO3 340.443 1 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -3.8910 -11.6583
LOGS LOGP    
0.1188 0.2213    

Links to the same SMILES compounds

LIGANDBOX C07849
CHEMBL CHEMBL1200988 CHEMBL1201264
ZINC ZINC01530932
PUBCHEM 4097 45743 5883


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