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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: CIN2
Replicates: 2
Raw OD Value: r im 0.8539±0.014425
Normalized OD Score: sc h 0.9951±0.00567225
Z-Score: -0.3982±0.469069
p-Value: 0.706222
Z-Factor: -6.48477
Fitness Defect: 0.3478
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:3|H11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2005-12-07 YYYY-MM-DD
Plate CH Control (+):0.039575±0.20175
Plate DMSO Control (-):0.8344750000000001±0.01454
Plate Z-Factor:0.9160
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DBLink | Rows returned: 17<< Back 1 2 3
7048651 (8S,9R,10S,13R,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
7048652 (8S,9R,10R,13R,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
7048653 (8R,9R,10S,13R,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
7048654 (8R,9R,10R,13R,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
7093535 (8S,9R,10R,13S,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

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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