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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 11 12 13 14 15 16 17 18 19 20  Next >> [89]
Species: 4932
Condition: DCC1
Replicates: 2
Raw OD Value: r im 0.6448±0.00141421
Normalized OD Score: sc h 0.9782±0.000563466
Z-Score: -1.0063±0.000520238
p-Value: 0.314294
Z-Factor: -2.62506
Fitness Defect: 1.1574
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:6|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2008-06-25 YYYY-MM-DD
Plate CH Control (+):0.040624999999999994±0.00123
Plate DMSO Control (-):0.6472±0.01729
Plate Z-Factor:0.9076
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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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