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Compound InformationSONAR Target prediction
Name:

21-ACETOXYPREGNENOLONE

Unique Identifier:SPE01505123
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C23H34O4
Molecular Weight:340.244 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CC(=O)OCC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C
Class:sterol
Source:semisynthetic
Reference:PNAS 94:4895 (1997)
Therapeutics:precursor in corticoid biosynthesis, derivative

Found: 67 nonactive | as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [67]
Species: 4932
Condition: SNC1
Replicates: 2
Raw OD Value: r im 0.7284±0.0265165
Normalized OD Score: sc h 0.9927±0.0228757
Z-Score: -0.4052±1.28856
p-Value: 0.400478
Z-Factor: -97.544
Fitness Defect: 0.9151
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:8|C9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2008-04-24 YYYY-MM-DD
Plate CH Control (+):0.040425±0.00055
Plate DMSO Control (-):0.71275±0.02125
Plate Z-Factor:0.8544
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 7902 | Additional Members: 9 | Rows returned: 3
SPE00270029 0.405797101449275
SPE01500645 0.276923076923077
SPE01505713 0.205882352941177

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