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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: 98 nonactive | as graph: single | with analogs [1] << Back 71 72 73 74 75 76 77 78 79 80  Next >> [98]
Species: 4932
Condition: SWC5
Replicates: 2
Raw OD Value: r im 0.6886±0.00799031
Normalized OD Score: sc h 1.0393±0.0186812
Z-Score: 1.7457±0.710045
p-Value: 0.119113
Z-Factor: -2.76013
Fitness Defect: 2.1277
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:11|D11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2008-06-19 YYYY-MM-DD
Plate CH Control (+):0.0397±0.00055
Plate DMSO Control (-):0.63965±0.02547
Plate Z-Factor:0.8666
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 17506 | Additional Members: 20 | Rows returned: 3
SPE00270090 0.529411764705882
SPE00270083 0.402597402597403
SPE01500849 0.354430379746835

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