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Compound InformationSONAR Target prediction
Name:

ESTRONE HEMISUCCINATE

Unique Identifier:SPE01503676
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22H26O5
Molecular Weight:344.232 g/mol
X log p:5.334  (online calculus)
Lipinksi Failures1
TPSA60.44
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:5
Canonical Smiles:CC12CCC3C(CCc4cc(OC(=O)CCC(O)=O)ccc34)C1CCC2=O
Therapeutics:estrogen

Found: 13 active | as graph: single | with analogs << Back 11 12 13
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.5265±0.00537401
Normalized OD Score: sc h 0.7712±0.0140941
Z-Score: -7.6802±0.0949803
p-Value: 0.0000000000000180777
Z-Factor: 0.333798
Fitness Defect: 31.6441
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:22|H9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.90 Celcius
Date:2006-02-22 YYYY-MM-DD
Plate CH Control (+):0.039825±0.00119
Plate DMSO Control (-):0.6433249999999999±0.02483
Plate Z-Factor:0.8555
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DBLink | Rows returned: 7<< Back 1 2
7067989 4-[[(8R,9S,13S,14R)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy
]-4-oxo-butanoic acid

internal high similarity DBLink | Rows returned: 0

active | Cluster 13348 | Additional Members: 15 | Rows returned: 2
SPE01500286 0.306451612903226
SPE01501181 0.25

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