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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:
MRT4
Replicates:
2
Raw OD Value:
r
im
0.6219±0.0140007
Normalized OD Score:
sc
h
0.9734±0.0335945
Z-Score:
-0.8010±0.987571
p-Value:
0.526006
Z-Factor:
-9.82282
Fitness Defect:
0.6424
Bioactivity Statement:
Nonactive
Experimental Conditions
Library:
Spectrum
Plate Number and Position:
12|B4
Drug Concentration:
50.00 nM
OD Absorbance:
600 nm
Robot Temperature:
26.90 Celcius
Date:
2007-08-30 YYYY-MM-DD
Plate CH Control (+):
0.04±0.00094
Plate DMSO Control (-):
0.608325±0.02815
Plate Z-Factor:
0.8439
png
ps
pdf
DBLink | Rows returned: 13
<< Back
1
2
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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