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Compound InformationSONAR Target prediction
Name:

Berberine chloride

Unique Identifier:Prest91
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C20ClH19NO4
Molecular Weight:353.671 g/mol
X log p:15.053  (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: 3 active as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1553.0000±0
Normalized OD Score: sc h 0.7810±0
Z-Score: -4.9367±0
p-Value: 0.000000794464
Z-Factor: -5.59964
Fitness Defect: 14.0456
Bioactivity Statement: Active
Experimental Conditions
Library:Prestwick
Plate Number and Position:8|C7
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.20 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):953±868.44324
Plate DMSO Control (-):1906.5±525.50956
Plate Z-Factor:-4.3660
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DBLink | Rows returned: 101 2 Next >> 
2353
8340
12456
72350
155071
155074

internal high similarity DBLink | Rows returned: 0

active | Cluster 10382 | Additional Members: 9 | Rows returned: 4
Prest374 0.328358208955224
LAT002A08 0
LAT004G09 0
SPE01500811 0

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