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Compound InformationSONAR Target prediction
Name:

3beta-HYDROXY-23,24-BISNORCHOL-5-ENIC ACID

Unique Identifier:SPE00270043
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22H34O3
Molecular Weight:312.234 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CC(C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(O)=O
Source:semisynthetic

Found: 6 active | as graph: single | with analogs << Back 1 2 3 4 5 6 Next >> 
Species: 4932
Condition: RGP1
Replicates: 2
Raw OD Value: r im 0.2673±0.0130815
Normalized OD Score: sc h 0.5623±0.0276725
Z-Score: -11.4198±0.563777
p-Value: 1.51169e-28
Z-Factor: 0.578578
Fitness Defect: 64.0592
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:11|D11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.30 Celcius
Date:2008-06-26 YYYY-MM-DD
Plate CH Control (+):0.040499999999999994±0.00039
Plate DMSO Control (-):0.454275±0.01525
Plate Z-Factor:0.8827
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 17506 | Additional Members: 20 | Rows returned: 91 2 Next >> 
SPE00270090 0.529411764705882
SPE01500854 0.416666666666667
SPE00270083 0.402597402597403
SPE01500849 0.354430379746835
SPE01504051 0.345679012345679
Prest11 0.226666666666667

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