LigandBoxID:D03556

NAME:Zuclopenthixol;Clopixol
SMILES: OCCN1CCN(CC1)CCC=C3c2ccccc2Sc4ccc(cc43)[Cl]

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D03556

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H27N2OSCl 402.989 2 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 0 -8.1835 -12.4360
LOGS LOGP    
-5.2177 4.6110    

Links to the same SMILES compounds

LIGANDBOX D02613 D08693
CHEMBL CHEMBL1437855 CHEMBL53904 CHEMBL87385
ZINC ZINC00601293 ZINC00601293 ZINC31483558 ZINC31483558
PUBCHEM 11636259 12453 12454 18533220 20838043
21160584 21160585 25102584 51371440 5311507 5372683
54605973 6433208 6446379


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