LigandBoxID:D06653

NAME:Tedisamil sesquifumarate
SMILES: C1(CN4CC5CN(CC(C52CCCC2)C4)CC3CC3)CC1

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D06653

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C19H34N2 290.495 2 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 0 -6.9530 -17.0824
LOGS LOGP    
$$$$ -0.0650    

Links to the same SMILES compounds

LIGANDBOX D06652
CHEMBL CHEMBL113461
PUBCHEM 11498917 11566690 21992240 56841543 65825
9887496


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