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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 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: SQS1
Replicates: 2
Raw OD Value: r im 0.7302±0.000141421
Normalized OD Score: sc h 0.9691±0.0297606
Z-Score: -1.3801±1.14209
p-Value: 0.297822
Z-Factor: -5.06994
Fitness Defect: 1.2113
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:2005-05-21 YYYY-MM-DD
Plate CH Control (+):0.049374999999999995±0.00463
Plate DMSO Control (-):0.763875±0.02664
Plate Z-Factor:0.8901
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DBLink | Rows returned: 16<< Back 1 2 3
634045 4-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]
phenanthren-3-one
6429883 (17R)-4,17-dihydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3
-one
6432110 (17S)-4,17-dihydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3
-one
6603709 (8R,9S,10S,13R,14R)-4-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanth
rene-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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