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Compound InformationSONAR Target prediction
Name:

Amiprilose hydrochloride

Unique Identifier:LOPAC 00658
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14ClH28NO6
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
Class:Immune System
Action:Modulator

Found: 24 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 Next >> [24]
Species: 4932
Condition: TEP1
Replicates: 2
Raw OD Value: r im 0.5863±0.00410122
Normalized OD Score: sc h 1.0005±0.000646545
Z-Score: 0.0205±0.0288867
p-Value: 0.98362
Z-Factor: -17.4437
Fitness Defect: 0.0165
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:1|E8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-05-17 YYYY-MM-DD
Plate CH Control (+):0.045274999999999996±0.00138
Plate DMSO Control (-):0.56525±0.01860
Plate Z-Factor:0.9037
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DBLink | Rows returned: 12<< Back 1 2
5702213 1-[(3R,4S,5R)-4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane-1,2-diol
6420050 1-[(3R,4S,5S)-4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane-1,2-diol
hydrochloride
6602490 (1S)-1-[(4S,5S)-4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane-1,2-di
ol
6603708 (1R)-1-[(1S,3S,4S,5R)-4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane-
1,2-diol
6604419 (1R)-1-[(1S,3R,4R,5S)-4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane-
1,2-diol
6713980 1-[(3R,4S,5S)-4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane-1,2-diol

internal high similarity DBLink | Rows returned: 1
SPE01503083 1.0000

active | Cluster 11451 | Additional Members: 4 | Rows returned: 1
SPE01503083 0

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