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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: RSA3
Replicates: 2
Raw OD Value: r im 0.5913±0.0198697
Normalized OD Score: sc h 0.8997±0.00693464
Z-Score: -4.3038±0.275164
p-Value: 0.000023271
Z-Factor: -2.0247
Fitness Defect: 10.6683
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:18|G5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.80 Celcius
Date:2008-04-01 YYYY-MM-DD
Plate CH Control (+):0.040025±0.00101
Plate DMSO Control (-):0.650625±0.04639
Plate Z-Factor:0.7537
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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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