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Compound InformationSONAR Target prediction
Name:

6-OXOPROGESTERONE

Unique Identifier:SPE01505219
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H28O3
Molecular Weight:300.223 g/mol
X log p:1.122  (online calculus)
Lipinksi Failures0
TPSA51.21
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:1
Canonical Smiles:CC(=O)C1CCC2C3CC(=O)C4=CC(=O)CCC4(C)C3CCC21C

Found: 101 nonactive as graph: single | with analogs [1] << Back 81 82 83 84 85 86 87 88 89 90  Next >> [101]
Species: 4932
Condition: SER1
Replicates: 2
Raw OD Value: r im 0.5292±0.0170413
Normalized OD Score: sc h 0.9587±0.00313787
Z-Score: -1.3005±0.0631448
p-Value: 0.193863
Z-Factor: -5.29919
Fitness Defect: 1.6406
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|A6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:28.00 Celcius
Date:2007-09-17 YYYY-MM-DD
Plate CH Control (+):0.03985±0.00038
Plate DMSO Control (-):0.558925±0.03548
Plate Z-Factor:0.7746
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DBLink | Rows returned: 232 3 4 Next >> 
101934 (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro
-1H-cyclopenta[a]phenanthrene-3,6-dione
150986 (8R,9S,10R,13S,14S)-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,6,17-tr
ione
195096 (8R,9S,10R,13S,14S)-10,13-dimethyl-2,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
253636 (8S,9S,10R,13R,14S,17S)-17-acetyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phe
nanthrene-3,6-dione
288203 n/a
585173 10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione

internal high similarity DBLink | Rows returned: 112 Next >> 
NRB 03820 0.9048
LOPAC 00696 0.9744
SPE01500508 0.9744
SPE00270067 0.9744
SB 01791 0.9744
SB 01194 0.9744

nonactive | Cluster 2094 | Additional Members: 20 | Rows returned: 132 3 Next >> 
SPE01505121 0.468354430379747
SPE00270067 0.463414634146341
Prest432 0.375
SPE00300034 0.375
SPE00307023 0.348484848484849
SPE00300029 0.285714285714286

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