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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: RAD52
Replicates: 2
Raw OD Value: r im 0.5874±0.0123037
Normalized OD Score: sc h 0.8964±0.0113894
Z-Score: -4.3688±0.528676
p-Value: 0.00003341
Z-Factor: -7.32168
Fitness Defect: 10.3067
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:10|B5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2007-10-26 YYYY-MM-DD
Plate CH Control (+):0.041749999999999995±0.00042
Plate DMSO Control (-):0.6394±0.11377
Plate Z-Factor:0.4033
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DBLink | Rows returned: 502 3 4 5 6 7 8 9 Next >> 
3001 [2-(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
4042 (17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)
acetate
5952 [2-[(8S,9S,10R,13R,14S,17S)-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
6279 [(6S,8R,9S,10R,13S,14S,17R)-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
9325 [(9S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanth
ren-17-yl] acetate
32789 [(9S,11S,14S,17R)-17-acetyl-11,13-dimethyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]p
henanthren-17-yl] 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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