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Compound InformationSONAR Target prediction
Name:

Piperacetazine

Unique Identifier:Prest1278
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C24H30N2O2S
Molecular Weight:380.335 g/mol
X log p:15.099  (online calculus)
Lipinksi Failures1
TPSA48.85
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:7
Canonical Smiles:CC(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CCO)CC3)c2c1

Found: 3 active as graph: single | with analogs << Back 1 2 3
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 9440.0000±0
Normalized OD Score: sc h 0.7676±0
Z-Score: -6.4664±0
p-Value: 0.000000000100386
Z-Factor: -2.80752
Fitness Defect: 23.022
Bioactivity Statement: Active
Experimental Conditions
Library:Prestwick
Plate Number and Position:14|A9
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.60 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):22309.5±7874.12854
Plate DMSO Control (-):12130±7429.00076
Plate Z-Factor:-6.0556
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DBLink | Rows returned: 1
19675 1-[10-[3-[4-(2-hydroxyethyl)-1-piperidyl]propyl]phenothiazin-2-yl]ethanone

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 6041 | Additional Members: 22 | Rows returned: 201 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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