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Compound InformationSONAR Target prediction
Name:

DEHYDROCHOLIC ACID

Unique Identifier:SPE01500907
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C24H34O5
Molecular Weight:369.262 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CC(CCC(O)=O)C1CCC2C3C(CC(=O)C12C)C1(C)CCC(=O)CC1CC3=O
Class:sterol
Source:derivative of cholic acid

Found: 104 nonactive as graph: single | with analogs [1] << Back 101 102 103 104 Next >> [104]
Species: 4932
Condition: VPH1
Replicates: 2
Raw OD Value: r im 0.4544±0.0108894
Normalized OD Score: sc h 0.9565±0.017111
Z-Score: -0.7981±0.35267
p-Value: 0.439034
Z-Factor: -3.21468
Fitness Defect: 0.8232
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:19|F4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2008-03-01 YYYY-MM-DD
Plate CH Control (+):0.0402±0.00037
Plate DMSO Control (-):0.413975±0.02125
Plate Z-Factor:0.8760
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 7145 | Additional Members: 4 | Rows returned: 1
SPE01500225 0.151515151515151

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