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Compound InformationSONAR Target prediction
Name:

MEGESTROL ACETATE

Unique Identifier:SPE01500381
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:352.254 g/mol
X log p:3.249  (online calculus)
Lipinksi Failures0
TPSA60.44
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:CC(=O)OC1(CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C)C(C)=O
Source:semisynthetic
Therapeutics:progestogen, antineoplastic

Found: 565 nonactive | as graph: single | with analogs [1] << Back 41 42 43 44 45 46 47 48 49 50  Next >> [565]
Species: 4932
Condition: SPE00305025
Replicates: 2
Raw OD Value: r im 0.4609±0.0411536
Normalized OD Score: sc h 0.9675±0.0218626
Z-Score: -0.5602±0.313467
p-Value: 0.584648
Z-Factor: -3.27634
Fitness Defect: 0.5367
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|H9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.40 Celcius
Date:2006-11-29 YYYY-MM-DD
Plate CH Control (+):0.038974999999999996±0.00203
Plate DMSO Control (-):0.49375±0.02546
Plate Z-Factor:0.8656
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DBLink | Rows returned: 162 3 Next >> 
4048 (17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl)
acetate
11683 [(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[
a]phenanthren-17-yl] acetate
91668 [(8R,9R,10R,13S,14S,17R)-17-acetyl-6,13-dimethyl-3-oxo-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]p
henanthren-17-yl] acetate
200136 [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]p
henanthren-17-yl] acetate
626483 (17-acetyl-6,10,13,16-tetramethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl
) acetate
3839280 (17-acetyl-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl)
acetate

internal high similarity DBLink | Rows returned: 0

active | Cluster 5652 | Additional Members: 7 | Rows returned: 1
Prest1208 0

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