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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 21 22 23 24 25 26 27 28 29 30  Next >> [37]
Species: 4932
Condition: SPT3
Replicates: 2
Raw OD Value: r im 0.0725±0.000353553
Normalized OD Score: sc h 0.1419±0.00247033
Z-Score: -14.2711±0.547939
p-Value: 3.92364e-44
Z-Factor: 0.886336
Fitness Defect: 99.9467
Bioactivity Statement: Toxic
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:2008-02-13 YYYY-MM-DD
Plate CH Control (+):0.04105±0.00091
Plate DMSO Control (-):0.478575±0.01445
Plate Z-Factor:0.9048
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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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