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Compound InformationSONAR Target prediction
Name:

CYPROTERONE

Unique Identifier:SPE01503921
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22ClH27O3
Molecular Weight:347.686 g/mol
X log p:2.906  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:1
Canonical Smiles:CC(=O)C1(O)CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC21C
Therapeutics:antiandrogen

Found: 114 nonactive as graph: single | with analogs [1] << Back 111 112 113 114
Species: 4932
Condition: TOR1
Replicates: 2
Raw OD Value: r im 0.9903±0.0154856
Normalized OD Score: sc h 0.9496±0.0106131
Z-Score: -0.2175±0.380852
p-Value: 0.792544
Z-Factor: -1.15935
Fitness Defect: 0.2325
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:24|G2
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):-0.00115±0.00163
Plate DMSO Control (-):0.9995±0.02603
Plate Z-Factor:0.9157
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DBLink | Rows returned: 9<< Back 1 2
5284537 n/a
5702275 n/a
11726188 (8R,9S,10R,13S,17R)-17-acetyl-6-chloro-17-hydroxy-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclo
penta[a]phenanthren-3-one

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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