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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 41 42 43 44 45 46 47 48 49 50  Next >> [205]
Species: 4932
Condition: GIM3
Replicates: 2
Raw OD Value: r im 0.8149±0.0222032
Normalized OD Score: sc h 1.0091±0.00531946
Z-Score: 0.2815±0.147754
p-Value: 0.779534
Z-Factor: -4.04747
Fitness Defect: 0.2491
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:12|B4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2006-03-15 YYYY-MM-DD
Plate CH Control (+):0.0385±0.00352
Plate DMSO Control (-):0.7883±0.02052
Plate Z-Factor:0.9449
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DBLink | Rows returned: 132 3 Next >> 
3370 [2-(9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenant
hren-17-yl)-2-oxo-ethyl] acetate
10572 [2-[(9R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]ph
enanthren-17-yl]-2-oxo-ethyl] acetate
31719 [2-[(2S,8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-2,10,13-trimethyl-3-oxo-1,2,6,7,8,11,12,14,1
5,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
102142 [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-1,2,6,7,8,11,12,14
,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
224247 [2-[(2R,8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-2,10,13-trimethyl-3-oxo-1,2,6,7,8,11,12,14,1
5,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
225609 [2-[(8S,9R,10S,11S,13S,14S,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

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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