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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] << Back 31 32 33 34 35 36 37 Next >> [37]
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.5747±0.0039598
Normalized OD Score: sc h 0.8853±0.000924645
Z-Score: -4.1544±0.251684
p-Value: 0.0000423592
Z-Factor: -1.02557
Fitness Defect: 10.0693
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:8|C9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2008-09-16 YYYY-MM-DD
Plate CH Control (+):0.041124999999999995±0.00088
Plate DMSO Control (-):0.63395±0.03906
Plate Z-Factor:0.7952
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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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