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Compound InformationSONAR Target prediction
Name:

ESTRIOL METHYL ETHER

Unique Identifier:SPE01501178
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:276.202 g/mol
X log p:6.939  (online calculus)
Lipinksi Failures1
TPSA9.23
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:1
Canonical Smiles:COc1ccc2C3CCC4(C)C(O)C(O)CC4C3CCc2c1
Source:semisynthetic
Reference:J Steroid Biochem 20: 945 (1984)
Therapeutics:estrogen

Found: 10 active | as graph: single | with analogs << Back 1 2 3 4 5 6 7 8 9 10 Next >> 
Species: 4932
Condition: MMS22
Replicates: 2
Raw OD Value: r im 0.4727±0.00219203
Normalized OD Score: sc h 0.8755±0.0201265
Z-Score: -4.0570±0.41655
p-Value: 0.0000908958
Z-Factor: -0.177195
Fitness Defect: 9.3058
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:6|E11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.80 Celcius
Date:2008-06-13 YYYY-MM-DD
Plate CH Control (+):0.040675±0.00065
Plate DMSO Control (-):0.52605±0.01371
Plate Z-Factor:0.9288
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DBLink | Rows returned: 21<< Back 1 2 3 4
6710621 (16R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
15972853 n/a
15973177 n/a

internal high similarity DBLink | Rows returned: 5
NRB 03832 0.9036
NRB 03848 0.9036
LOPAC 01056 0.9494
NRB 03860 0.9740
SPE01501183 0.9740

active | Cluster 3283 | Additional Members: 12 | Rows returned: 71 2 Next >> 
SPE01501191 0.534883720930233
SPE01505077 0.487179487179487
LOPAC 00476 0.460674157303371
SPE01501180 0.416666666666667
SPE01501182 0.305555555555556
LAT002A11 0

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