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Compound InformationSONAR Target prediction
Name:

Berberine Chloride

Unique Identifier:LAT002A08
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C20ClH19NO4
Molecular Weight:353.671 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:2
Canonical Smiles:[ClH-].COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC
Generic_name:BERBERINE
Chemical_iupac_name:BERBERINE
Drug_type:Experimental
Kegg_compound_id:C00757
Drugbank_id:EXPT00672
Logp:4.473
Cas_registry_number:2086-83-1
Drug_category:Hypothetical Transcriptional Regulator In Qa inhibitor
Organisms_affected:-1

Found: 1 active | as graph: single | with analogs
Species: 4932
Condition: pdr18h
Replicates: 2
Raw OD Value: r im 0.4575±0.00487904
Normalized OD Score: sc h 0.7241±0.00950522
Z-Score: -7.6526±0.313298
p-Value: 0.0000000000000555876
Z-Factor: 0.623295
Fitness Defect: 30.5208
Bioactivity Statement: Active
Experimental Conditions
Library:LATCA
Plate Number and Position:2|A8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.03955±0.00248
Plate DMSO Control (-):0.647475±0.01609
Plate Z-Factor:0.8987
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DBLink | Rows returned: 121 2 Next >> 
2353
8340
12456
72350
155071
155074

internal high similarity DBLink | Rows returned: 3
BIOMOL 38 1.0000
Prest91 1.0000
SPE01500811 1.0000

active | Cluster 10382 | Additional Members: 9 | Rows returned: 4
Prest374 0.328358208955224
Prest91 0
LAT004G09 0
SPE01500811 0

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