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Compound Information
SONAR Target prediction
Name:
BETAMETHASONE VALERATE
Unique Identifier:
SPE01500145
MolClass:
Checkout models in
ver1.5
and
ver1.0
Molecular Formula:
Molecular Weight:
439.284 g/mol
X log p:
4.049
(online calculus)
Lipinksi Failures
0
TPSA
60.44
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptors Count:
6
Rotatable Bond Count:
7
Canonical Smiles:
CCCCC(=O)OC1(C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C)C(=O)CO
Source:
semisynthetic
Therapeutics:
glucocorticoid
Found: 205 nonactive as graph:
single
|
with analogs
[1]
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[205]
Species:
4932
Condition:
GIM3
Replicates:
2
Raw OD Value:
r
im
0.6792±0.00176777
Normalized OD Score:
sc
h
0.9230±0.0176279
Z-Score:
-2.4493±0.726716
p-Value:
0.0279932
Z-Factor:
-0.411292
Fitness Defect:
3.5758
Bioactivity Statement:
Nonactive
Experimental Conditions
Library:
Spectrum
Plate Number and Position:
10|G6
Drug Concentration:
50.00 nM
OD Absorbance:
600 nm
Robot Temperature:
25.50 Celcius
Date:
2006-03-15 YYYY-MM-DD
Plate CH Control (+):
0.03895±0.00231
Plate DMSO Control (-):
0.710975±0.01445
Plate Z-Factor:
0.9263
png
ps
pdf
DBLink | Rows returned: 13
<< Back
1
2
3
7061370
[(8R,9R,10S,11S,13S,14R,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8
,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate
internal high similarity DBLink | Rows returned: 3
SPE01500300
0.9238
SPE01500231
0.9694
SPE01503210
0.9899
active
| Cluster 9739 | Additional Members: 15 | Rows returned: 1
Prest25
0.376470588235294
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