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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: 42 active | as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [42]
Species: 4932
Condition: MAD1
Replicates: 2
Raw OD Value: r im 0.6597±0.0464569
Normalized OD Score: sc h 0.9226±0.00657684
Z-Score: -4.4206±0.147191
p-Value: 0.0000109515
Z-Factor: -18.5264
Fitness Defect: 11.422
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:19|F5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.80 Celcius
Date:2007-10-05 YYYY-MM-DD
Plate CH Control (+):0.0406±0.00072
Plate DMSO Control (-):0.69875±0.13029
Plate Z-Factor:0.3733
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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

nonactive | Cluster 14706 | Additional Members: 7 | Rows returned: 1
LAT002C09 0

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