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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 21 22 23 24 25 26 27 28 29 30  Next >> [172]
Species: 4932
Condition: SPE00100676
Replicates: 2
Raw OD Value: r im 0.3181±0.0297692
Normalized OD Score: sc h 0.7028±0.0320003
Z-Score: -6.3757±0.641053
p-Value: 0.00000000159067
Z-Factor: 0.338578
Fitness Defect: 20.2591
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|D7
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:22.10 Celcius
Date:2006-12-14 YYYY-MM-DD
Plate CH Control (+):0.038599999999999995±0.00133
Plate DMSO Control (-):0.475925±0.01585
Plate Z-Factor:0.9064
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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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