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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: KRE1
Replicates: 2
Raw OD Value: r im 0.6195±0.0188798
Normalized OD Score: sc h 0.9882±0.010716
Z-Score: -0.4958±0.439725
p-Value: 0.63661
Z-Factor: -5.30611
Fitness Defect: 0.4516
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:3|H11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.80 Celcius
Date:2005-11-22 YYYY-MM-DD
Plate CH Control (+):0.0385±0.00125
Plate DMSO Control (-):0.6206499999999999±0.00970
Plate Z-Factor:0.9518
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DBLink | Rows returned: 171 2 3 Next >> 
151150 (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,9,12,14,15,16-decahy
drocyclopenta[a]phenanthrene-3,11-dione
222786 (8S,9S,10R,13S,14S,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
259691 (2R,8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,9,12,14,15,16-dec
ahydrocyclopenta[a]phenanthrene-3,11-dione
521440 17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren
e-3,11-dione
561030 17-hydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanth
rene-3,11-dione
3011526 (17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phena
nthrene-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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