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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 31 32 33 34 35 36 37 38 39 40  Next >> [65]
Species: 4932
Condition: SPT3
Replicates: 2
Raw OD Value: r im 0.2451±0.00806102
Normalized OD Score: sc h 0.4449±0.00828387
Z-Score: -9.0560±0.49194
p-Value: 1.54751e-18
Z-Factor: 0.685568
Fitness Defect: 41.0099
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:2|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2008-02-13 YYYY-MM-DD
Plate CH Control (+):0.04085±0.00112
Plate DMSO Control (-):0.53545±0.02589
Plate Z-Factor:0.8333
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DBLink | Rows returned: 16<< Back 1 2 3
7001143 [(8S,9S,10R,13S,14S,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
7061046 [(8S,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
7075726 [(8R,9R,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
7075727 [(8S,9R,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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