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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 2 3 4 5 6 7 8 9 10  Next >> [34]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.6858±0.000565685
Normalized OD Score: sc h 0.7522±0.00442549
Z-Score: -4.8433±0.000833643
p-Value: 0.00000127688
Z-Factor: 0.513618
Fitness Defect: 13.5711
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:7|F8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2008-05-14 YYYY-MM-DD
Plate CH Control (+):0.0402±0.00058
Plate DMSO Control (-):0.6981249999999999±0.01578
Plate Z-Factor:0.9190
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DBLink | Rows returned: 50<< Back 1 2 3 4 5 6 7 8 9 Next >> 
6546604 [(6R,8R,9R,10R,13R,14S,17S)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cycl
openta[a]phenanthren-17-yl] acetate
6546964 [2-[(8S,9R,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]p
henanthren-17-yl]-2-oxo-ethyl] acetate
6569254 [(8S,9S,10S,13R,14R,17R)-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
6956326 [(8S,9S,10R,13S,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
6956336 [(6R,8R,9R,10R,13S,14R,17S)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cycl
openta[a]phenanthren-17-yl] acetate
6957677 [2-[(8R,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]p
henanthren-17-yl]-2-oxo-ethyl] acetate

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

nonactive | Cluster 2094 | Additional Members: 20 | Rows returned: 132 3 Next >> 
SPE01505121 0.468354430379747
SPE00270067 0.463414634146341
SPE01505219 0.422535211267606
Prest432 0.375
SPE00300034 0.375
SPE00307023 0.348484848484849

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