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Compound InformationSONAR Target prediction
Name:

Thioproperazine dimesylate

Unique Identifier:Prest537
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C24H38N4O8S4
Molecular Weight:600.543 g/mol
X log p:15.254  (online calculus)
Lipinksi Failures1
TPSA80.78
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:6
Canonical Smiles:CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(C)CC3)c2c1.CS(O)(=O)=O.CS(O)(=
O)=O

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1954.0000±0
Normalized OD Score: sc h 0.9515±0
Z-Score: -1.0925±0
p-Value: 0.27462
Z-Factor: -17.2972
Fitness Defect: 1.2924
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:2|G10
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.40 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):979±955.64442
Plate DMSO Control (-):1983.5±536.09994
Plate Z-Factor:-4.7841
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DBLink | Rows returned: 1
92178 N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide; methanesulfonic acid

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 6041 | Additional Members: 22 | Rows returned: 191 2 3 4 Next >> 
Prest853 0.555555555555556
LAT002B04 0.5375
SPE01500575 0.5375
Prest437 0.5375
LOPAC 00320 0.5375
SPE01503936 0.452054794520548

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