LigandBoxID:D07700

NAME:Cinitapride;Paxapride
SMILES: CCOc3cc(c(cc3C(NC2CCN(CC1CCC=CC1)CC2)=O)N(=O)O)N

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D07700

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H31N4O4 403.503 1 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 1 -3.9104 -11.5882
LOGS LOGP    
-5.1163 2.8420    

Links to the same SMILES compounds

LIGANDBOX D07701
PUBCHEM 20840628 44547465 44547884 44547885 44547886
44547887 44548033 44548034 44548035 44548036 53474700
6446850 68867 6917844


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