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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 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 573.0000±0
Normalized OD Score: sc h 0.7391±0
Z-Score: -5.8805±0
p-Value: 0.0000000040912
Z-Factor: -4.46057
Fitness Defect: 19.3144
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 (+):666±537.71391
Plate DMSO Control (-):769.5±270.43450
Plate Z-Factor:-41.4809
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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: 20<< Back 1 2 3 4 Next >> 
Prest537 0.357142857142857
Prest893 0.306451612903226
SPE01503118 0.306451612903226
LOPAC 01241 0.306451612903226
SPE01500505 0.253968253968254
LOPAC 00300 0.253968253968254

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