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Compound InformationSONAR Target prediction
Name:

DEXAMETHASONE SODIUM PHOSPHATE

Unique Identifier:SPE01500232
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:489.19 g/mol
X log p:2.424  (online calculus)
Lipinksi Failures0
TPSA116.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:4
Canonical Smiles:[Na+].[Na+].[O-]P([O-])(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(
F)C(O)CC21C
Source:semisynthetic
Therapeutics:glucocorticoid, antiinflammatory

Found: 205 nonactive as graph: single | with analogs [1] << Back 121 122 123 124 125 126 127 128 129 130  Next >> [205]
Species: 4932
Condition: GIM3
Replicates: 2
Raw OD Value: r im 0.7521±0.0237588
Normalized OD Score: sc h 0.9983±0.00730877
Z-Score: -0.0612±0.234407
p-Value: 0.868598
Z-Factor: -19.6503
Fitness Defect: 0.1409
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:11|E10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2006-03-15 YYYY-MM-DD
Plate CH Control (+):0.038400000000000004±0.00160
Plate DMSO Control (-):0.7309749999999999±0.01221
Plate Z-Factor:0.9350
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DBLink | Rows returned: 37<< Back 1 2 3 4 5 6 7 Next >> 
5771591 [2-[(8R,9S,10R,11R,14S,16S)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octah
ydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]phosphonic acid
6431705 disodium
(9R,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-17-(2-phosphonatooxyacetyl)-6,7,8,11,12,14,15,1
6-octahydrocyclopenta[a]phenanthren-3-one
6431707 disodium
9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-17-(2-phosphonatooxyacetyl)-6,7,8,11,12,14,15,16-octahydrocy
clopenta[a]phenanthren-3-one
6560185 (8R,9R,10R,11R,13R,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-17-(2-phosphonatooxyacetyl)-
6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
6560186 [2-[(8R,9R,10R,11R,13R,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,
16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]phosphonic acid
6602441 [2-[(9R,10S,11S,13S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octa
hydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]phosphonic acid

internal high similarity DBLink | Rows returned: 0

active | Cluster 1865 | Additional Members: 13 | Rows returned: 3
Prest990 0.494845360824742
SPE01500136 0.494845360824742
SPE01503210 0.355555555555556

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