LigandBoxID:D02037

NAME:Perphenazine maleate;PZC
SMILES: OCCN1CCN(CC1)CCCN3c2ccccc2Sc4ccc(cc43)[Cl]

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02037

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H28N3OSCl 405.993 2 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 0 -8.1722 -12.4270
LOGS LOGP    
-5.1548 -0.7396    

Links to the same SMILES compounds

LIGANDBOX C07427 C13540 D00503 D04038 D04965
HTS1610-00000293 HTS1610-00000294 KSH2016-01579414 KSH2016-01689508
CHEMBL CHEMBL567
ZINC ZINC19228902 ZINC19228902
PUBCHEM 10319251 165659 168090 18787839 21128523
23582896 23615893 23616319 23616838 23623915 23623916
23724899 25137876 28101391 4282573 44656102 46782712
4748 49849831 49849832 49849833 57347667 6442084
6444477 74835


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