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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: NDI1
Replicates: 2
Raw OD Value: r im 0.6120±0.0292742
Normalized OD Score: sc h 0.8809±0.0281857
Z-Score: -5.5157±1.30091
p-Value: 0.00000215554
Z-Factor: -0.254751
Fitness Defect: 13.0475
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:25|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.80 Celcius
Date:2008-03-13 YYYY-MM-DD
Plate CH Control (+):0.0402±0.00065
Plate DMSO Control (-):0.6753250000000001±0.01424
Plate Z-Factor:0.9340
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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

active | Cluster 13982 | Additional Members: 12 | Rows returned: 3
SPE01500284 0.394736842105263
SPE01501184 0.318181818181818
SPE01500282 0

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