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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 51 52 53 54 55 56 57 58 59 60  Next >> [101]
Species: 4932
Condition: NUM1
Replicates: 2
Raw OD Value: r im 0.6676±0.0174655
Normalized OD Score: sc h 0.9495±0.0164448
Z-Score: -2.2601±0.778902
p-Value: 0.0461682
Z-Factor: -1.55299
Fitness Defect: 3.0755
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|A6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.30 Celcius
Date:2006-02-10 YYYY-MM-DD
Plate CH Control (+):0.0407±0.00094
Plate DMSO Control (-):0.674625±0.01425
Plate Z-Factor:0.9285
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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: 11<< Back 1 2
NRB 03821 0.9744
NRB 03818 0.9744
LOPAC 01120 0.9744
LOPAC 00859 0.9744
SPE01504116 0.9744

active | Cluster 2094 | Additional Members: 20 | Rows returned: 72 Next >> 
SPE00300034 0.375
SPE00307023 0.348484848484849
SPE00300029 0.285714285714286
SPE01500508 0
LAT002C06 0
LAT005F10 0

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