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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 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: CLN3
Replicates: 2
Raw OD Value: r im 0.6781±0.0293449
Normalized OD Score: sc h 0.9984±0.0134895
Z-Score: -0.0176±0.460418
p-Value: 0.744792
Z-Factor: -8.91278
Fitness Defect: 0.2947
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:4|D2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.80 Celcius
Date:2005-05-08 YYYY-MM-DD
Plate CH Control (+):0.04785±0.00081
Plate DMSO Control (-):0.6973±0.04791
Plate Z-Factor:0.6869
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DBLink | Rows returned: 162 3 Next >> 
2863 [2-(17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl
)-2-oxo-ethyl] acetate
5745 [2-[(8S,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
225758 [2-[(5R,8S,9S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-4,5,6,7,8,9,12,14,15,16-decahydrocyc
lopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
232398 [2-[(6S,8S,9S,10R,13S,14S,17R)-17-hydroxy-6,10,13-trimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydro
cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
232428 [2-(17-hydroxy-2,10,13-trimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17
-yl)-2-oxo-ethyl] acetate
355340 [2-[(8S,10R,13S)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phen
anthren-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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