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Compound InformationSONAR Target prediction
Name:

ESTRADIOL PROPIONATE

Unique Identifier:SPE01501179
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:300.223 g/mol
X log p:7.127  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:3
Canonical Smiles:CCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C
Source:semisynthetic
Therapeutics:estrogen

Found: 172 active | as graph: single | with analogs [1] << Back 161 162 163 164 165 166 167 168 169 170  Next >> [172]
Species: 4932
Condition: FKS1
Replicates: 2
Raw OD Value: r im 0.6220±0.0712057
Normalized OD Score: sc h 0.7852±0.0665067
Z-Score: -4.0492±0.797669
p-Value: 0.000247868
Z-Factor: -0.292117
Fitness Defect: 8.3026
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:25|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.60 Celcius
Date:2008-06-04 YYYY-MM-DD
Plate CH Control (+):0.04105±0.00104
Plate DMSO Control (-):0.6308±0.01775
Plate Z-Factor:0.8840
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DBLink | Rows returned: 3
3266 (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) propanoate
19571 [(8S,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-
yl] propanoate
6710670 [(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]
propanoate

internal high similarity DBLink | Rows returned: 3
SPE01500283 0.9659
SPE01501184 0.9765
SPE01500284 0.9770

nonactive | Cluster 13982 | Additional Members: 12 | Rows returned: 92 Next >> 
SPE01500283 0.423076923076923
SPE01500284 0.394736842105263
LOPAC 01056 0.391304347826087
SPE01500285 0.348484848484849
Prest1161 0.348484848484849
SPE01501184 0.318181818181818

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