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Compound InformationSONAR Target prediction
Name:

CHOLEST-5-EN-3-ONE

Unique Identifier:SPE01500849
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:340.288 g/mol
X log p:3.186  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:5
Canonical Smiles:CC(C)CCCC(C)C1CCC2C3CC=C4CC(=O)CCC4(C)C3CCC12C
Class:sterol
Source:animal fats; mp 79-80 C
Reference:J Am Chem Soc 75: 3500 (1953)

Found: 202 nonactive | as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [202]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.6975±0.00622254
Normalized OD Score: sc h 0.9894±0.0051782
Z-Score: -0.5753±0.289986
p-Value: 0.573172
Z-Factor: -15.2014
Fitness Defect: 0.5566
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|A8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.00 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.041675000000000004±0.00068
Plate DMSO Control (-):0.6857500000000001±0.02249
Plate Z-Factor:0.8773
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DBLink | Rows returned: 55<< Back 1 2 3 4 5 6 7 8 9 10
15941864 (1R,3R,5R)-3-ethylbicyclo[3.2.1]oct-6-en-4-one

internal high similarity DBLink | Rows returned: 1
SPE01800109 0.9189

active | Cluster 17506 | Additional Members: 20 | Rows returned: 3
SPE00270090 0.529411764705882
SPE00270083 0.402597402597403
SPE00270043 0.315068493150685

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