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Compound InformationSONAR Target prediction
Name:

Cyproterone acetate

Unique Identifier:LOPAC 00767
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
Class:Hormone
Action:Antagonist
Selectivity:Androgen

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: MRC1
Replicates: 2
Raw OD Value: r im 0.8165±0.000141421
Normalized OD Score: sc h 0.9991±0.00315917
Z-Score: -0.0769±0.237036
p-Value: 0.86728
Z-Factor: -36.7381
Fitness Defect: 0.1424
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:4|G2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2005-12-06 YYYY-MM-DD
Plate CH Control (+):0.30367500000000003±0.15644
Plate DMSO Control (-):0.804225±0.01020
Plate Z-Factor:0.9607
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DBLink | Rows returned: 15<< Back 1 2 3
6714003 n/a
6957674 [(8S,9S,10R,13S,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
7059670 [(8S,9S,10R,13S,14S,17R)-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

internal high similarity DBLink | Rows returned: 0

active | Cluster 5652 | Additional Members: 7 | Rows returned: 2
SPE01500381 0.526315789473684
Prest1208 0

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