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Compound InformationSONAR Target prediction
Name:

CORTISONE

Unique Identifier:SPE01701028
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:332.222 g/mol
X log p:-0.578  (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:sterol
Source:adrenal cortical hormone
Reference:Helv Chim Acta 19:1107 (1936); 20:978 (1937); JACS 70:1454 (1948)
Therapeutics:antiinflammatory, glucocorticoid

Found: 205 nonactive as graph: single | with analogs [1] << Back 191 192 193 194 195 196 197 198 199 200  Next >> [205]
Species: 4932
Condition: SUR2
Replicates: 2
Raw OD Value: r im 0.7210±0.00834386
Normalized OD Score: sc h 1.0019±0.0106525
Z-Score: 0.0887±0.539024
p-Value: 0.704204
Z-Factor: -34.8654
Fitness Defect: 0.3507
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|E8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2008-05-06 YYYY-MM-DD
Plate CH Control (+):0.04185±0.00169
Plate DMSO Control (-):0.6975750000000001±0.01421
Plate Z-Factor:0.9254
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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 0.9038
LOPAC 00761 1.0000

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