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Compound Information
SONAR 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 Failures
0
TPSA
60.44
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]
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[205]
Species:
4932
Condition:
BY4743
Replicates:
2
Raw OD Value:
r
im
0.9460±0
Normalized OD Score:
sc
h
0.9727±0
Z-Score:
-1.1115±0
p-Value:
0.266358
Z-Factor:
-3.88105
Fitness Defect:
1.3229
Bioactivity Statement:
Nonactive
Experimental Conditions
Library:
Spectrum_ED
Plate Number and Position:
3|A2
Drug Concentration:
50.00 nM
OD Absorbance:
595 nm
Robot Temperature:
30.00 Celcius
Date:
2012-05-28 YYYY-MM-DD
Plate CH Control (+):
0.102±0.00258
Plate DMSO Control (-):
0.9685±0.02548
Plate Z-Factor:
0.9029
png
ps
pdf
DBLink | Rows returned: 13
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3
6957656
[2-[(8R,9R,10R,11R,13S,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
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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Mike Tyers Laboratory