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Compound InformationSONAR Target prediction
Name:

ESTRADIOL METHYL ETHER

Unique Identifier:SPE01501183
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:260.202 g/mol
X log p:7.007  (online calculus)
Lipinksi Failures1
TPSA9.23
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:1
Canonical Smiles:COc1ccc2C3CCC4(C)C(O)CCC4C3CCc2c1
Source:semisynthetic
Reference:JACS 100: 6218 (1978)
Therapeutics:estrogen

Found: 143 active | as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [143]
Species: 4932
Condition: MT2481-pdr1pdr3-1st
Replicates: 2
Raw OD Value: r im 0.5416±0.0581242
Normalized OD Score: sc h 0.8688±0.0866471
Z-Score: -6.1897±4.25737
p-Value: 0.000738108
Z-Factor: -1.37741
Fitness Defect: 7.2114
Bioactivity Statement: Outlier
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:14|B8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.20 Celcius
Date:2008-01-25 YYYY-MM-DD
Plate CH Control (+):0.040025±0.00030
Plate DMSO Control (-):0.6043499999999999±0.01051
Plate Z-Factor:0.9442
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DBLink | Rows returned: 43<< Back 1 2 3 4 5 6 7 8
15967914

internal high similarity DBLink | Rows returned: 5
NRB 03832 0.9259
NRB 03848 0.9259
LOPAC 01056 0.9740
SPE01501178 0.9740
NRB 03860 1.0000

active | Cluster 3283 | Additional Members: 12 | Rows returned: 71 2 Next >> 
SPE01501191 0.534883720930233
SPE01505077 0.487179487179487
LOPAC 00476 0.460674157303371
SPE01501180 0.416666666666667
SPE01501178 0.333333333333333
SPE01501182 0.305555555555556

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