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Compound InformationSONAR Target prediction
Name:

PALMATINE CHLORIDE

Unique Identifier:SPE01500872
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:365.682 g/mol
X log p:15.013  (online calculus)
Lipinksi Failures1
TPSA39.93
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:[ClH-].COc1ccc2cc3c4cc(OC)c(OC)cc4CC[n+]3cc2c1OC
Class:alkaloid
Source:Jateorhiza palmata (Calumba root)
Reference:J Nat Prod 28: 73 (1965); Can J Chem 58: 2770 (1980)
Therapeutics:antibacterial, antimalarial, uterine contractant

Found: 205 nonactive as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [205]
Species: 4932
Condition: GYP1
Replicates: 2
Raw OD Value: r im 0.7139±0.019799
Normalized OD Score: sc h 0.9856±0.0101524
Z-Score: -0.7964±0.554779
p-Value: 0.460328
Z-Factor: -5.05883
Fitness Defect: 0.7758
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:1|F2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.30 Celcius
Date:2008-06-10 YYYY-MM-DD
Plate CH Control (+):0.041624999999999995±0.00034
Plate DMSO Control (-):0.7205±0.01185
Plate Z-Factor:0.9595
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DBLink | Rows returned: 4
19009
73442
200119
3083876

internal high similarity DBLink | Rows returned: 2
SPE01500811 0.9471
SPE00300517 0.9781

nonactive | Cluster 10382 | Additional Members: 9 | Rows returned: 5
SPE00300517 0.328358208955224
Prest374 0.328358208955224
LAT002A08 0
LAT004G09 0
SPE01500811 0

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