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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: MT2481-pdr1pdr3
Replicates: 2
Raw OD Value: r im 0.6692±0.0127986
Normalized OD Score: sc h 0.9877±0.0061275
Z-Score: -0.6823±0.298405
p-Value: 0.504546
Z-Factor: -11.1453
Fitness Defect: 0.6841
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:1|G9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.60 Celcius
Date:2005-04-08 YYYY-MM-DD
Plate CH Control (+):0.048299999999999996±0.00112
Plate DMSO Control (-):0.66215±0.01567
Plate Z-Factor:0.9146
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DBLink | Rows returned: 16<< Back 1 2 3 Next >> 
160615 (8R,9S,10R,13S,14S,17S)-4,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopent
a[a]phenanthren-3-one
164714 (8S,9S,10R,13R,14S,17S)-17-acetyl-4-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocycl
openta[a]phenanthren-3-one
253543 2-hydroxy-4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-5,6,7,8,9,11,12,15,16,17-decahydrocyclopenta
[a]phenanthren-3-one
351707 4,17-dihydroxy-13,17-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
518960 4,17-dihydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
573196 9-hydroxyspiro[4.5]dec-8-en-10-one

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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