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Compound InformationSONAR Target prediction
Name:

Cortisone

Unique Identifier:LOPAC 00761
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H28O5
Molecular Weight:335.246 g/mol
X log p:-0.717  (online calculus)
Lipinksi Failures0
TPSA51.21
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:2
Canonical Smiles:CC12CCC(=O)C=C1CCC1C3CCC(O)(C(=O)CO)C3(C)CC(=O)C12
Class:Hormone
Selectivity:Corticosteroid

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: HOC1
Replicates: 2
Raw OD Value: r im 0.5394±0.0066468
Normalized OD Score: sc h 0.9984±0.00175581
Z-Score: -0.0714±0.0742041
p-Value: 0.94318
Z-Factor: -16.7856
Fitness Defect: 0.0585
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:3|H11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2005-11-24 YYYY-MM-DD
Plate CH Control (+):0.039125±0.00106
Plate DMSO Control (-):0.54965±0.01065
Plate Z-Factor:0.9209
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DBLink | Rows returned: 17<< Back 1 2 3 Next >> 
5316089 (10R,13S,17S)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,14-trimethyl-2,6,7,8,9,12,15,16-octahydro-1H-cyclope
nta[a]phenanthrene-3,11-dione
5460098 (8S,9S,10R,13S,14S)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocycl
openta[a]phenanthrene-3,11-dione
6546961 (8S,9R,10R,13R,14S,17S)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydro
cyclopenta[a]phenanthrene-3,11-dione
6603771 (8S,9S,10S,13R,14R,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydro
cyclopenta[a]phenanthrene-3,11-dione
6708812 (10R,13S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta
[a]phenanthrene-3,11-dione
6957675 (8R,9S,10S,13S,14R,17S)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydro
cyclopenta[a]phenanthrene-3,11-dione

internal high similarity DBLink | Rows returned: 2
LOPAC 01179 0.9020
SPE01701028 1.0000

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