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Compound InformationSONAR Target prediction
Name:

FLUDROCORTISONE ACETATE

Unique Identifier:SPE01500299
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:391.241 g/mol
X log p:-0.363  (online calculus)
Lipinksi Failures0
TPSA60.44
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)C3(F)C(O)CC21C
Source:semisynthetic
Therapeutics:mineralocorticoid

Found: 205 nonactive as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [205]
Species: 4932
Condition: IRE1
Replicates: 2
Raw OD Value: r im 0.7144±0.00685894
Normalized OD Score: sc h 1.0018±0.0118759
Z-Score: 0.4767±0.653234
p-Value: 0.668052
Z-Factor: -7.23019
Fitness Defect: 0.4034
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:12|B4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2007-11-23 YYYY-MM-DD
Plate CH Control (+):0.039999999999999994±0.00090
Plate DMSO Control (-):0.6981±0.03360
Plate Z-Factor:0.7862
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DBLink | Rows returned: 13<< Back 1 2 3 Next >> 
5144128 [2-(9-fluoro-11,17-dihydroxy-2,10,13-trimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phen
anthren-17-yl)-2-oxo-ethyl] acetate
5702054 [2-[(9R,11S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyc
lopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
6426826 [2-[(9R,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[
a]phenanthren-17-yl]-2-oxo-ethyl] acetate
6546944 [2-[(8S,9S,10S,11R,13R,14S,17S)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-d
ecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
6604260 [2-[(8R,9S,10S,11S,13S,14R,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-d
ecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
6710659 [2-[(9R,10S,11S,13S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydr
ocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate

internal high similarity DBLink | Rows returned: 2
SPE01500231 0.9072
NRB 03816 0.9341

active | Cluster 13203 | Additional Members: 4 | Rows returned: 0
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