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Compound InformationSONAR Target prediction
Name:

ESTROPIPATE

Unique Identifier:SPE01505116
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22H32N2O5S
Molecular Weight:404.312 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CC12CCC3C(CCc4cc(OS(O)(=O)=O)ccc34)C1CCC2=O.C1CNCCN1
Source:semisynthetic
Therapeutics:estrogen

Found: 104 nonactive as graph: single | with analogs [1] << Back 91 92 93 94 95 96 97 98 99 100  Next >> [104]
Species: 4932
Condition: HOG1
Replicates: 2
Raw OD Value: r im 0.6025±0.00919239
Normalized OD Score: sc h 1.0181±0.00222826
Z-Score: 0.5031±0.144348
p-Value: 0.616734
Z-Factor: -2.29194
Fitness Defect: 0.4833
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:9|C7
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.0835±0.00291
Plate DMSO Control (-):0.652±0.01665
Plate Z-Factor:0.8921
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 13348 | Additional Members: 15 | Rows returned: 71 2 Next >> 
SPE00307123 0.333333333333333
SPE01503676 0.309859154929578
SPE01500286 0.306451612903226
LOPAC 00901 0.306451612903226
Prest1162 0.306451612903226
SPE01501181 0.25

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