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Compound InformationSONAR Target prediction
Name:

Cyproterone acetate

Unique Identifier:Prest1208
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C24ClH29O4
Molecular Weight:390.731 g/mol
X log p:3.24  (online calculus)
Lipinksi Failures0
TPSA60.44
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC21C)C(C)=O

Found: 3 active as graph: single | with analogs 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 572.0000±0
Normalized OD Score: sc h 0.7248±0
Z-Score: -6.2040±0
p-Value: 0.000000000550312
Z-Factor: -4.08267
Fitness Defect: 21.3205
Bioactivity Statement: Active
Experimental Conditions
Library:Prestwick
Plate Number and Position:14|D5
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.60 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):666±537.71391
Plate DMSO Control (-):769.5±270.43450
Plate Z-Factor:-41.4809
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DBLink | Rows returned: 15<< Back 1 2 3 Next >> 
115058 [(8R,9S,10R,13S,14S)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopent
a[a]phenanthren-17-yl] acetate
3034800 n/a
5702030 n/a
6546958 [(8R,9R,10R,13R,14S,17S)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclo
penta[a]phenanthren-17-yl] acetate
6603774 n/a
6710779 [(10R,13S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]ph
enanthren-17-yl] acetate

internal high similarity DBLink | Rows returned: 0

active | Cluster 5652 | Additional Members: 7 | Rows returned: 1
SPE01500381 0.526315789473684

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