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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 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: CHS3
Replicates: 2
Raw OD Value: r im 0.6704±0.00572756
Normalized OD Score: sc h 0.9825±0.00367719
Z-Score: -0.8139±0.190937
p-Value: 0.419928
Z-Factor: -2.76396
Fitness Defect: 0.8677
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:1|F2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.90 Celcius
Date:2008-06-20 YYYY-MM-DD
Plate CH Control (+):0.040575±0.00053
Plate DMSO Control (-):0.66275±0.01069
Plate Z-Factor:0.9416
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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

active | Cluster 10382 | Additional Members: 9 | Rows returned: 5
Prest374 0.328358208955224
Prest91 0
LAT002A08 0
LAT004G09 0
SPE01500811 0

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