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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 551 552 553 554 555 556 557 558 559 560  Next >> [565]
Species: 4932
Condition: SET2
Replicates: 2
Raw OD Value: r im 0.6859±0.00353553
Normalized OD Score: sc h 0.9691±0.00276762
Z-Score: -1.8076±0.155259
p-Value: 0.072359
Z-Factor: -1.15467
Fitness Defect: 2.6261
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|F11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2007-11-15 YYYY-MM-DD
Plate CH Control (+):0.04145±0.00067
Plate DMSO Control (-):0.697675±0.01373
Plate Z-Factor:0.9341
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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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