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Compound InformationSONAR Target prediction
Name:

Sodium Taurocholate

Unique Identifier:LOPAC 00673
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C26H44NNaO7S
Molecular Weight:493.337 g/mol
X log p:-2.497  (online calculus)
Lipinksi Failures0
TPSA68.82
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:9
Canonical Smiles:CC(CCC(=O)NCCS(=O)(=O)O[Na])C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
Class:Multi-Drug Resistance
Action:Modulator
Selectivity:Conjugate Pathway

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: GIM3
Replicates: 4
Raw OD Value: r im 0.5321±0.0565472
Normalized OD Score: sc h 0.9982±0.0587463
Z-Score: -0.0592±0.926965
p-Value: 0.70732
Z-Factor: -6.62933
Fitness Defect: 0.3463
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:1|B10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.50 Celcius
Date:2005-04-08 YYYY-MM-DD
Plate CH Control (+):0.04434999999999999±0.00279
Plate DMSO Control (-):0.6851375±0.15133
Plate Z-Factor:-0.3271
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 1
JFD 03704 1.0000

active | Cluster 10691 | Additional Members: 8 | Rows returned: 0
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