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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: 197 nonactive | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [197]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.8945±0.0302642
Normalized OD Score: sc h 0.9720±0.00440279
Z-Score: -0.7556±0.0726768
p-Value: 0.450488
Z-Factor: -0.811296
Fitness Defect: 0.7974
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:3|F9
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09575±0.00727
Plate DMSO Control (-):0.9517500000000001±0.01995
Plate Z-Factor:0.9054
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DBLink | Rows returned: 50<< Back 1 2 3 4 5 6 7 8 9 Next >> 
273700 [(6R,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cycl
openta[a]phenanthren-17-yl] acetate
350935 [2-oxo-2-(2,10,13-trimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-y
l)ethyl] acetate
540869 (17-acetyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)
acetate
540870 (17-acetyl-13,16-dimethyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)
acetate
540953 (17-acetyl-10,13,16-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl
) acetate
626809 (17-acetyl-6,10,13,16-tetramethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-1
7-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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