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Compound InformationSONAR Target prediction
Name:

MEDROXYPROGESTERONE ACETATE

Unique Identifier:SPE01500379
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:352.254 g/mol
X log p:1.176  (online calculus)
Lipinksi Failures0
TPSA60.44
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:CC1CC2C(CCC3(C)C2CCC3(OC(C)=O)C(C)=O)C2(C)CCC(=O)C=C12
Source:semisynthetic
Therapeutics:contraceptive

Found: 10 active | as graph: single | with analogs << Back 1 2 3 4 5 6 7 8 9 10 Next >> 
Species: 4932
Condition: RGP1
Replicates: 2
Raw OD Value: r im 0.3702±0.00162635
Normalized OD Score: sc h 0.8390±0.00482545
Z-Score: -4.2061±0.181454
p-Value: 0.0000300378
Z-Factor: -0.0495839
Fitness Defect: 10.4131
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:18|G5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2008-06-26 YYYY-MM-DD
Plate CH Control (+):0.039675±0.00155
Plate DMSO Control (-):0.421725±0.02097
Plate Z-Factor:0.8502
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DBLink | Rows returned: 50<< Back 1 2 3 4 5 6 7 8 9 Next >> 
7087051 [(8S,9S,10R,13S,14R,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta
[a]phenanthren-17-yl] acetate
7233155 [(8R,9R,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta
[a]phenanthren-17-yl] acetate
7233156 [(8R,9R,10S,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta
[a]phenanthren-17-yl] acetate
7233157 [(8R,9R,10S,13S,14R,17S)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta
[a]phenanthren-17-yl] acetate
7233158 [(8R,9R,10S,13S,14R,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta
[a]phenanthren-17-yl] acetate
11875275 [(8R,9R,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta
[a]phenanthren-17-yl] acetate

internal high similarity DBLink | Rows returned: 2
SPE01500343 0.9710
SPE00300029 1.0000

active | Cluster 18089 | Additional Members: 2 | Rows returned: 0
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