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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: SPT3
Replicates: 2
Raw OD Value: r im 0.3592±0.00643467
Normalized OD Score: sc h 0.7325±0.0112976
Z-Score: -4.1006±0.00679041
p-Value: 0.0000412242
Z-Factor: -0.722164
Fitness Defect: 10.0965
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:11|D11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2008-02-13 YYYY-MM-DD
Plate CH Control (+):0.04105±0.00323
Plate DMSO Control (-):0.46715±0.05657
Plate Z-Factor:0.6147
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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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