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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: 37 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [37]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.6576±0.000494975
Normalized OD Score: sc h 0.9213±0.0166231
Z-Score: -4.1913±0.975215
p-Value: 0.000231692
Z-Factor: -0.36245
Fitness Defect: 8.3701
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:8|C9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.00 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.040275±0.00088
Plate DMSO Control (-):0.716475±0.01206
Plate Z-Factor:0.9368
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 7902 | Additional Members: 9 | Rows returned: 6
Prest1157 0.405797101449275
SPE00270029 0.405797101449275
SPE01500645 0.276923076923077
Prest859 0.276923076923077
LOPAC 00530 0.227272727272727
SPE01505713 0.205882352941177

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