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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 11 12 13 14 15 16 17 18 19 20  Next >> [104]
Species: 4932
Condition: DOA4
Replicates: 2
Raw OD Value: r im 0.6496±0.0155563
Normalized OD Score: sc h 0.9889±0.0251108
Z-Score: -0.4242±0.992421
p-Value: 0.520774
Z-Factor: -13.7712
Fitness Defect: 0.6524
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:7|G2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2008-05-02 YYYY-MM-DD
Plate CH Control (+):0.040025000000000005±0.00048
Plate DMSO Control (-):0.625975±0.01589
Plate Z-Factor:0.9104
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 13348 | Additional Members: 15 | Rows returned: 3
SPE01503676 0.309859154929578
SPE01500286 0.306451612903226
SPE01501181 0.25

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