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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 1 2 3 4 5 6 7 8 9 10  Next >> [104]
Species: 4932
Condition: ATP4
Replicates: 2
Raw OD Value: r im 0.5231±0.00601041
Normalized OD Score: sc h 0.9646±0.00675676
Z-Score: -1.3324±0.342116
p-Value: 0.195446
Z-Factor: -5.68061
Fitness Defect: 1.6325
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:7|G2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.70 Celcius
Date:2008-03-06 YYYY-MM-DD
Plate CH Control (+):0.040625±0.00113
Plate DMSO Control (-):0.561825±0.04287
Plate Z-Factor:0.7647
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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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