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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 1 2 3 4 5 6 Next >> 
Species: 4932
Condition: DRS2
Replicates: 2
Raw OD Value: r im 0.4258±0.0053033
Normalized OD Score: sc h 0.6273±0.0127951
Z-Score: -16.0888±0.587919
p-Value: 0
Z-Factor: 0.668686
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:11|D11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.10 Celcius
Date:2008-01-11 YYYY-MM-DD
Plate CH Control (+):0.04165±0.00145
Plate DMSO Control (-):0.65325±0.01889
Plate Z-Factor:0.8976
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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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