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Compound InformationSONAR Target prediction
Name:

Cortisone 21-acetate

Unique Identifier:LOPAC 00764
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C23H30O6
Molecular Weight:375.266 g/mol
X log p:-0.673  (online calculus)
Lipinksi Failures0
TPSA77.51
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:4
Canonical Smiles:CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC21C
Class:Hormone
Selectivity:Cortisol

Found: 24 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: PAC10
Replicates: 2
Raw OD Value: r im 0.7972±0.0098995
Normalized OD Score: sc h 1.0038±0.00225169
Z-Score: 0.1716±0.100213
p-Value: 0.864068
Z-Factor: -6.11474
Fitness Defect: 0.1461
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:4|D2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.50 Celcius
Date:2005-04-15 YYYY-MM-DD
Plate CH Control (+):0.044950000000000004±0.00093
Plate DMSO Control (-):0.7523500000000001±0.03827
Plate Z-Factor:0.8183
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DBLink | Rows returned: 16<< Back 1 2 3
7059631 [2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclop
enta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
7067809 [2-[(8S,9R,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclop
enta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
7067810 [2-[(8S,9R,10R,13S,14R,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclop
enta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
7067811 [2-[(8S,9S,10R,13S,14R,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclop
enta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate

internal high similarity DBLink | Rows returned: 1
SPE01500207 1.0000

active | Cluster 11390 | Additional Members: 8 | Rows returned: 0

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