LigandBoxID:D00631

NAME:Bepridil hydrochloride hydrate;Bepridil hydrochloride;Vascor
SMILES: CC(COCC(N1CCCC1)CN(c3ccccc3)Cc2ccccc2)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00631

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C24H35N2O 367.557 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 1 -3.5551 -11.8522
LOGS LOGP    
-4.3414 4.3164    

Links to the same SMILES compounds

LIGANDBOX C06847 D07520 PDB_BEP
CHEMBL CHEMBL1008 CHEMBL1200382 CHEMBL1257078 CHEMBL251075 CHEMBL400696
ZINC ZINC03812918 ZINC03830283
PUBCHEM 16048569 16048570 21116753 2351 24848222
40467001 40467072 44140551 44140621 445143 45114114
50088 52918502 91725 9909683


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