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Compound InformationSONAR Target prediction
Name:

TRIAMCINOLONE DIACETATE

Unique Identifier:SPE01500588
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:447.261 g/mol
X log p:3.975  (online calculus)
Lipinksi Failures0
TPSA86.74
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:6
Canonical Smiles:CC(=O)OCC(=O)C1(O)C(CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C)OC(C)=O
Source:semisynthetic
Therapeutics:antiinflammatory

Found: 205 nonactive as graph: single | with analogs [1] << Back 131 132 133 134 135 136 137 138 139 140  Next >> [205]
Species: 4932
Condition: FUR4
Replicates: 2
Raw OD Value: r im 0.4433±0.0185262
Normalized OD Score: sc h 0.9857±0.00571815
Z-Score: -0.3653±0.0836789
p-Value: 0.715378
Z-Factor: -8.62758
Fitness Defect: 0.3349
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:16|A8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.00 Celcius
Date:2006-03-22 YYYY-MM-DD
Plate CH Control (+):0.0399±0.00330
Plate DMSO Control (-):0.44362500000000005±0.01899
Plate Z-Factor:0.9386
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DBLink | Rows returned: 82 Next >> 
6216 [2-[(8S,9R,10S,11S,13S,14S,16R,17S)-16-acetyloxy-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,
12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
539244 [2-(16-acetyloxy-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[
a]phenanthren-17-yl)-2-oxo-ethyl] acetate
5702127 [2-[(9R,10S,11S,13S,16R,17S)-16-acetyloxy-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,1
5,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
6546954 [2-[(8S,9S,10S,11R,13R,14S,16S,17R)-16-acetyloxy-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,
12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
7059643 [2-[(8R,9R,10S,11S,13S,14S,16R,17S)-16-acetyloxy-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,
12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
7061378 [2-[(8R,9R,10S,11S,13S,14R,16R,17S)-16-acetyloxy-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,
12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate

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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