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Compound InformationSONAR Target prediction
Name:

PIPERINE

Unique Identifier:SPE01500873
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:266.187 g/mol
X log p:14.992  (online calculus)
Lipinksi Failures1
TPSA38.77
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:O=C(C=CC=Cc1ccc2OCOc2c1)N1CCCCC1
Class:alkaloid
Source:black pepper (Piper nigrum L.)
Reference:Tet Lett 1979: 1043
Therapeutics:analeptic, antibacterial

Found: 581 nonactive | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [581]
Species: 4932
Condition: SPE01502260
Replicates: 2
Raw OD Value: r im 0.6748±0
Normalized OD Score: sc h 0.9976±0
Z-Score: -0.0212±0
p-Value: 0.98306
Z-Factor: -38.8296
Fitness Defect: 0.0171
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|B10
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:0.00 Celcius
Date:2006-08-13 YYYY-MM-DD
Plate CH Control (+):0.04105±0.00083
Plate DMSO Control (-):0.69785±0.01911
Plate Z-Factor:0.9085
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DBLink | Rows returned: 4
4840 5-benzo[1,3]dioxol-5-yl-1-(1-piperidyl)penta-2,4-dien-1-one
638024 (2E,4E)-5-benzo[1,3]dioxol-5-yl-1-(1-piperidyl)penta-2,4-dien-1-one
1548912 (2E,4E)-5-benzo[1,3]dioxol-5-yl-1-(1-piperidyl)penta-2,4-dien-1-one
1548913 (2E,4E)-5-benzo[1,3]dioxol-5-yl-1-(1-piperidyl)penta-2,4-dien-1-one

internal high similarity DBLink | Rows returned: 1
NRB 01456 1.0000

active | Cluster 14706 | Additional Members: 7 | Rows returned: 1
Prest398 0

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