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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: 65 active | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [65]
Species: 4932
Condition: ATP4
Replicates: 2
Raw OD Value: r im 0.5370±0.00388909
Normalized OD Score: sc h 0.8549±0.00900654
Z-Score: -5.4246±0.693882
p-Value: 0.000000404532
Z-Factor: 0.175841
Fitness Defect: 14.7205
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:2|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.30 Celcius
Date:2008-03-06 YYYY-MM-DD
Plate CH Control (+):0.039825±0.00044
Plate DMSO Control (-):0.6185±0.02027
Plate Z-Factor:0.8987
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DBLink | Rows returned: 16<< Back 1 2 3 Next >> 
6560404 [(8S,9S,10S,13R,14R,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
6568851 [(8S,9R,10S,13S,14R,17S)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[
a]phenanthren-17-yl] acetate
6604274 [(8R,9S,10S,13R,14R,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
6710729 [(17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-y
l] acetate
6994722 [(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]p
henanthren-17-yl] acetate
6995082 [(8S,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

internal high similarity DBLink | Rows returned: 0

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

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