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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 2 3 4 5 6 7 8 9 10  Next >> [89]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.7308±0.00438406
Normalized OD Score: sc h 0.9947±0.00383475
Z-Score: -0.2849±0.210181
p-Value: 0.778116
Z-Factor: -57.2824
Fitness Defect: 0.2509
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:6|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.80 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.04005±0.00053
Plate DMSO Control (-):0.715775±0.02450
Plate Z-Factor:0.9275
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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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