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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: SPT3
Replicates: 2
Raw OD Value: r im 0.2660±0.0115966
Normalized OD Score: sc h 0.6347±0.00835592
Z-Score: -5.7898±0.395465
p-Value: 0.00000001857
Z-Factor: 0.464586
Fitness Defect: 17.8017
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:18|G5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.00 Celcius
Date:2008-02-13 YYYY-MM-DD
Plate CH Control (+):0.040975±0.00040
Plate DMSO Control (-):0.401625±0.02216
Plate Z-Factor:0.8040
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DBLink | Rows returned: 50<< Back 1 2 3 4 5 6 7 8 9 Next >> 
62992 [(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-cyclope
nta[a]phenanthren-17-yl] acetate
86543 (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
134963 [(8R,9S,10R,13S,14S,17R)-17-acetyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a
]phenanthren-17-yl] acetate
229869 [2-(2,4a,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,14b-dodecahydropicen-2-yl)-2-ox
o-ethyl] acetate
241767 [(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-17-propanoyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclope
nta[a]phenanthren-17-yl] acetate
266116 (17-acetyl-4,10,13-trimethyl-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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