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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 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: NUM1
Replicates: 2
Raw OD Value: r im 0.7320±0.0105359
Normalized OD Score: sc h 0.9941±0.000850729
Z-Score: -0.3577±0.0177347
p-Value: 0.720566
Z-Factor: -4.49142
Fitness Defect: 0.3277
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:1|B10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2005-11-30 YYYY-MM-DD
Plate CH Control (+):0.03905±0.00074
Plate DMSO Control (-):0.7277±0.00884
Plate Z-Factor:0.9543
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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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