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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 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.6763±0.00551543
Normalized OD Score: sc h 0.9715±0.0041048
Z-Score: -1.5484±0.199652
p-Value: 0.125236
Z-Factor: -2.57645
Fitness Defect: 2.0776
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|A6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.04227500000000001±0.00068
Plate DMSO Control (-):0.6801±0.01862
Plate Z-Factor:0.9086
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DBLink | Rows returned: 23<< Back 1 2 3 4 Next >> 
4036085 17-acetyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
4146610 4a,8-dimethyl-3,4,5,6-tetrahydro-2H-naphthalene-1,7-dione
5316741 (8S,10R,13R)-17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro
-1H-cyclopenta[a]phenanthrene-3,6-dione
5363650 (E)-6,6-dimethyl-9-methylidene-undec-3-ene-2,5,10-trione
5490007 (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,
17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
6541170 (8S,9R,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phe
nanthrene-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

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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