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Compound InformationSONAR Target prediction
Name:

Amiprilose hydrochloride

Unique Identifier:Prest982
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14ClH28NO6
Molecular Weight:316.629 g/mol
X log p:-1.43  (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

Found: 3 nonactive as graph: single | with analogs << Back 1 2 3
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 12613.0000±0
Normalized OD Score: sc h 1.0236±0
Z-Score: 0.6571±0
p-Value: 0.51109
Z-Factor: -7.19733
Fitness Defect: 0.6712
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:11|E6
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.20 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):21969.5±7626.88802
Plate DMSO Control (-):12948±7402.41727
Plate Z-Factor:-6.2689
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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: 0

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

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