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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 31 32 33 34 35 36 37 38 39 40  Next >> [205]
Species: 4932
Condition: KRE1
Replicates: 2
Raw OD Value: r im 0.6223±0.00919239
Normalized OD Score: sc h 0.9997±0.00934656
Z-Score: 0.0645±0.510615
p-Value: 0.718616
Z-Factor: -32.5064
Fitness Defect: 0.3304
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:3|A5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:29.90 Celcius
Date:2008-04-02 YYYY-MM-DD
Plate CH Control (+):0.046700000000000005±0.00344
Plate DMSO Control (-):0.58545±0.01620
Plate Z-Factor:0.8861
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DBLink | Rows returned: 81 2 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

nonactive | Cluster 1865 | Additional Members: 13 | Rows returned: 101 2 Next >> 
Prest924 0.571428571428571
Prest990 0.494845360824742
SPE01500136 0.494845360824742
SPE01503816 0.357894736842105
SPE01503210 0.355555555555556
LAT001A07 0.355555555555556

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