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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: PAC10
Replicates: 2
Raw OD Value: r im 0.7838±0.00997021
Normalized OD Score: sc h 0.9819±0.00650446
Z-Score: -0.8206±0.285362
p-Value: 0.42131
Z-Factor: -8.95398
Fitness Defect: 0.8644
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:2005-04-15 YYYY-MM-DD
Plate CH Control (+):0.04345±0.00828
Plate DMSO Control (-):0.75095±0.02945
Plate Z-Factor:0.9179
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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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