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Compound InformationSONAR Target prediction
Name:

DESOXYCORTICOSTERONE ACETATE

Unique Identifier:SPE00300029
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:340.244 g/mol
X log p:1.899  (online calculus)
Lipinksi Failures0
TPSA60.44
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C
Source:adrenocortex
Therapeutics:mineralocorticoid

Found: 34 active | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [34]
Species: 4932
Condition: POL32
Replicates: 2
Raw OD Value: r im 0.4548±0.0238295
Normalized OD Score: sc h 0.7968±0.0189615
Z-Score: -5.6673±0.530358
p-Value: 0.0000000611694
Z-Factor: 0.0280171
Fitness Defect: 16.6096
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:10|B5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2006-02-16 YYYY-MM-DD
Plate CH Control (+):0.039175±0.00090
Plate DMSO Control (-):0.5524±0.02484
Plate Z-Factor:0.8599
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DBLink | Rows returned: 50<< Back 1 2 3 4 5 6 7 8 9 Next >> 
3503513 (1-acetyl-2,10a,12a-trimethyl-8-oxo-2,3,4,4a,4b,5,6,9,10,10b,11,12-dodecahydrochrysen-1-yl) acetate
3995757 (10,13-dimethyl-3-oxo-17-propanoyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)
acetate
5702034 [2-[(10R,13R,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren
-17-yl]-2-oxo-ethyl] acetate
5702080 [(6S,10R,13S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]p
henanthren-17-yl] acetate
6432547 [(6S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthr
en-17-yl] acetate
6546600 [(8R,9R,10R,13R,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta
[a]phenanthren-17-yl] acetate

internal high similarity DBLink | Rows returned: 2
SPE01500343 0.9710
SPE01500379 1.0000

active | Cluster 2094 | Additional Members: 20 | Rows returned: 6
SPE00300034 0.375
SPE00307023 0.348484848484849
SPE01500508 0
LAT002C06 0
LAT005F10 0
LOPAC 01120 0

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