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Compound InformationSONAR Target prediction
Name:

AMIPRILOSE

Unique Identifier:SPE01503083
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:313.606 g/mol
X log p:-0.87  (online calculus)
Lipinksi Failures0
TPSA40.16
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:7
Canonical Smiles:Cl.CN(C)CCCOC1C(OC2OC(C)(C)OC21)C(O)CO
Source:semisynthetic
Therapeutics:immunomodulator, antiinflammatory

Found: 10 active | as graph: single | with analogs 2 3 4 5 6 7 8 9 10 Next >> 
Species: 4932
Condition: SPE01503602
Replicates: 2
Raw OD Value: r im 0.3513±0
Normalized OD Score: sc h 1.5718±0
Z-Score: 6.0008±0
p-Value: 0.00000000196395
Z-Factor: 0.514986
Fitness Defect: 20.0483
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:2|E9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2006-08-17 YYYY-MM-DD
Plate CH Control (+):0.04055±0.00289
Plate DMSO Control (-):0.33765±0.02960
Plate Z-Factor:0.6826
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DBLink | Rows returned: 122 Next >> 
2158 1-[4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane-1,2-diol
43261 1-[(1R,3R,4S,5R)-4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane-1,2-d
iol hydrochloride
43262 1-[(1R,3R,4S,5R)-4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane-1,2-d
iol
121928 (1R)-1-[(1R,3R,4S,5R)-4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane-
1,2-diol
124163 3-[[(1R,3R,4S,5R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-4-y
l]oxy]-N,N-dimethyl-propan-1-amine
5702212 1-[(3R,4S,5R)-4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane-1,2-diol
hydrochloride

internal high similarity DBLink | Rows returned: 1
LOPAC 00658 1.0000

nonactive | Cluster 11451 | Additional Members: 4 | Rows returned: 2
Prest982 0
LOPAC 00658 0

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