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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: GAS1
Replicates: 2
Raw OD Value: r im 0.6925±0.00247487
Normalized OD Score: sc h 0.9630±0.023981
Z-Score: -1.7766±1.15124
p-Value: 0.172663
Z-Factor: -2.71543
Fitness Defect: 1.7564
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:1|B10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.40 Celcius
Date:2005-11-17 YYYY-MM-DD
Plate CH Control (+):0.040175±0.00208
Plate DMSO Control (-):0.757325±0.03496
Plate Z-Factor:0.8199
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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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