LigandBoxID:D01969

NAME:Gallopamil hydrochloride
SMILES: N#CC(c2cc(c(c(c2)OC)OC)OC)(C(C)C)CCCN(CCc1ccc(c(c1)OC)OC)C

2D 3D


select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D01969

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C28H41N2O5 485.645 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
6 2 -3.9150 -11.1190
LOGS AGGREGATOR_PROBABILITY CARCINOGENICITY_FN CARCINOGENICITY_FN_AD
-0.439622021E+01 0.403223395E+00 - 1.3614

Links to the same SMILES compounds

LIGANDBOX C13764 D08009
CHEMBL CHEMBL1256940 CHEMBL1401296 CHEMBL51149
ZINC ZINC03812915 ZINC03870325
PUBCHEM 119442 1234 40467914 4118 46220567
51371236 59378507 59378510 59378513 59378514 657234
6603929

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