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Compound InformationSONAR Target prediction
Name:

ESTRIOL TRIACETATE

Unique Identifier:SPE01505077
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C24H30O6
Molecular Weight:384.253 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CC(=O)OC1CC2C3CCc4cc(OC(C)=O)ccc4C3CCC2(C)C1OC(C)=O
Source:semisynthetic; 10x potency of estriol
Reference:J Steroid Biochem 20:945 (1984)
Therapeutics:estrogen

Found: 2 active | as graph: single | with analogs 1 2 Next >> 
Species: 4932
Condition: MT2481-pdr1pdr3-2nd
Replicates: 2
Raw OD Value: r im 0.5195±0.00190919
Normalized OD Score: sc h 0.8954±0.0171925
Z-Score: -4.3933±0.671034
p-Value: 0.000045052
Z-Factor: -0.10103
Fitness Defect: 10.0077
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:6|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2008-08-22 YYYY-MM-DD
Plate CH Control (+):0.040125±0.00032
Plate DMSO Control (-):0.5655±0.01259
Plate Z-Factor:0.8950
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 3283 | Additional Members: 12 | Rows returned: 81 2 Next >> 
SPE01501191 0.534883720930233
LOPAC 00476 0.460674157303371
SPE01501180 0.416666666666667
SPE01501178 0.333333333333333
SPE01501182 0.305555555555556
SPE01501192 0.242424242424242

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