LigandBoxID:D07734

NAME:Cinnarizine dihydrochloride;Celenid
SMILES: C(CN1CCN(C(c3ccccc3)c4ccccc4)CC1)=Cc2ccccc2

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D07734

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C26H30N2 370.540 2 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 0 -7.4745 -14.8085
LOGS LOGP    
-6.0975 6.5760    

Links to the same SMILES compounds

LIGANDBOX D01295 HTS1610-00000342 HTS1610-00000343 KSH2016-01085868
CHEMBL CHEMBL1257123 CHEMBL43064
ZINC ZINC19632891 ZINC19632891 ZINC19632891 ZINC21983537 ZINC21983537
ZINC21983537
PUBCHEM 1547484 1615336 21454432 24842086 2761
28248446 29920420 45038684 5553324 6436096 6443640
6444556 9832476


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