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Compound InformationSONAR Target prediction
Name:

4-Androsten-4-ol-3,17-dione

Unique Identifier:LOPAC 00661
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C19H26O3
Molecular Weight:276.202 g/mol
X log p:-0.732  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:0
Canonical Smiles:CC12CCC3C(CCC4=C(O)C(=O)CCC34C)C1CCC2=O
Class:Hormone
Action:Inhibitor
Selectivity:Aromatase

Found: 24 nonactive as graph: single | with analogs [1] << Back 21 22 23 24
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.6260±0.00155563
Normalized OD Score: sc h 0.9864±0.012821
Z-Score: -0.3870±0.338294
p-Value: 0.706836
Z-Factor: -10.1073
Fitness Defect: 0.347
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:1|G9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.05145±0.00553
Plate DMSO Control (-):0.6681999999999999±0.07984
Plate Z-Factor:0.5918
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DBLink | Rows returned: 162 3 Next >> 
3408 4-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
11273 (8R,9S,10R,13S,14S)-4-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanth
rene-3,17-dione
72061 (8R,9S,10R,13S,14S,17S)-4,17-dihydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopen
ta[a]phenanthren-3-one
79023 2-hydroxy-3-methyl-6-propan-2-yl-cyclohex-2-en-1-one
107580 (8R,9S,13S,14S,17S)-4,17-dihydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]
phenanthren-3-one
131528 (8S,9S,10R,13S,14S)-4-hydroxy-2,2,10,13-tetramethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phena
nthrene-3,17-dione

internal high similarity DBLink | Rows returned: 2
SPE01701060 0.9020
LOPAC 00951 0.9184

active | Cluster 17181 | Additional Members: 4 | Rows returned: 1
SPE01504116 0

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