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Compound InformationSONAR Target prediction
Name:

4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(trifluoromethyl)phenyl]tetrahydro
-1(2H)-pyrazinecarboxamide

Unique Identifier:HTS 03696
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C20H20N3O3F3
Molecular Weight:387.228 g/mol
X log p:16.287  (online calculus)
Lipinksi Failures1
TPSA42.01
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:6
Canonical Smiles:FC(F)(F)c1ccc(NC(=O)N2CCN(CC2)Cc2ccc3OCOc3c2)cc1

Found: 4 active | as graph: single | with analogs << Back 1 2 3 4 Next >> 
Species: 4932
Condition: pdryCG196
Replicates: 2
Raw OD Value: r im 0.5835±0.0572756
Normalized OD Score: sc h 0.5214±0.0637783
Z-Score: -16.3195±0.932508
p-Value: 0
Z-Factor: -0.284961
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:Cytotoxic
Plate Number and Position:4|H7
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.093±0.00193
Plate DMSO Control (-):0.90875±0.11223
Plate Z-Factor:0.2419
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DBLink | Rows returned: 2
2811369 4-(benzo[1,3]dioxol-5-ylmethyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
7189398 4-(benzo[1,3]dioxol-5-ylmethyl)-N-[4-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydropyrazine-1-carboxamide

internal high similarity DBLink | Rows returned: 3
SPB 07289 0.9027
SPB 07291 0.9160
HTS 03711 0.9292

nonactive | Cluster 5376 | Additional Members: 64 | Rows returned: 2
SPE01503222 0.405797101449275
Prest601 0.405797101449275

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