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Compound InformationSONAR Target prediction
Name:

CORTISONE ACETATE

Unique Identifier:SPE01500207
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:372.242 g/mol
X log p:-0.534  (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
Source:semisynthetic
Therapeutics:glucocorticoid

Found: 205 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: CHS3
Replicates: 2
Raw OD Value: r im 0.6498±0.00657609
Normalized OD Score: sc h 0.9887±0.0057946
Z-Score: -0.5243±0.253954
p-Value: 0.605914
Z-Factor: -7.86511
Fitness Defect: 0.501
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:3|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.00 Celcius
Date:2008-06-20 YYYY-MM-DD
Plate CH Control (+):0.040125±0.00047
Plate DMSO Control (-):0.650575±0.01396
Plate Z-Factor:0.9403
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DBLink | Rows returned: 16<< Back 1 2 3 Next >> 
4254489 [2-(17-hydroxy-6,10,13-trimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17
-yl)-2-oxo-ethyl] acetate
4521157 [2-(17-hydroxy-10,13-dimethyl-3,11-dioxo-4,5,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl
)-2-oxo-ethyl] acetate
5702028 [2-[(10R,13S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phe
nanthren-17-yl]-2-oxo-ethyl] acetate
6546962 [2-[(8S,9R,10R,13R,14S,17S)-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
6603773 [2-[(8S,9S,10S,13R,14R,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
6957676 [2-[(8R,9S,10R,13S,14S,17S)-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

internal high similarity DBLink | Rows returned: 1
LOPAC 00764 1.0000

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

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