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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: 89 nonactive | as graph: single | with analogs [1] << Back 81 82 83 84 85 86 87 88 89
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.4976±0.00431335
Normalized OD Score: sc h 0.8773±0.0098248
Z-Score: -3.4362±0.279859
p-Value: 0.000740634
Z-Factor: -0.168239
Fitness Defect: 7.208
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:6|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.040650000000000006±0.00054
Plate DMSO Control (-):0.5367±0.01906
Plate Z-Factor:0.8628
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 3283 | Additional Members: 12 | Rows returned: 71 2 Next >> 
SPE01501191 0.534883720930233
LOPAC 00476 0.460674157303371
SPE01501180 0.416666666666667
SPE01501178 0.333333333333333
SPE01501182 0.305555555555556
LAT002A11 0

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