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Compound InformationSONAR Target prediction
Name:

ESTRADIOL CYPIONATE

Unique Identifier:SPE01500283
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:360.276 g/mol
X log p:7.388  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:5
Canonical Smiles:CC12CCC3C(CCc4cc(O)ccc34)C1CCC2OC(=O)CCC1CCCC1
Source:semisynthetic
Therapeutics:estrogen

Found: 205 nonactive as graph: single | with analogs [1] << Back 201 202 203 204 205
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.5217±0.0369817
Normalized OD Score: sc h 0.9587±0.0435966
Z-Score: -1.0236±0.298506
p-Value: 0.316718
Z-Factor: -1.7252
Fitness Defect: 1.1497
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:18|B5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.040999999999999995±0.00056
Plate DMSO Control (-):0.486±0.02470
Plate Z-Factor:0.8167
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DBLink | Rows returned: 172 3 Next >> 
3263 (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)
3-cyclopentylpropanoate
9403 [(8S,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-
yl] 3-cyclopentylpropanoate
19135 [(8S,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-
yl] undecanoate
21070 [(8S,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-
yl] heptanoate
44380 (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) octanoate
66409 [(8S,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-
yl] decanoate

internal high similarity DBLink | Rows returned: 3
SPE01501184 0.9432
SPE01501179 0.9659
SPE01500284 0.9886

active | Cluster 13982 | Additional Members: 12 | Rows returned: 4
SPE01500284 0.394736842105263
SPE01501179 0.366197183098592
SPE01501184 0.318181818181818
SPE01500282 0

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