LigandBoxID:D02680

NAME:Pipotiazine palmitate;Piportil depot
SMILES: CCCCCCCCCCCCCCCC(OCCC1CCN(CC1)CCCN4c2ccccc2Sc3ccc(S(N(C)C)(=O)=O)cc43)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02680

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C40H64N3O4S2 715.099 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 -3.7245 -10.5641
LOGS LOGP    
-12.7559 6.6455    

Links to the same SMILES compounds

PUBCHEM 37767


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