Compound Information | SONAR 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 Failures | 0 | TPSA | 40.16 | 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 |
Species: |
4932 |
Condition: |
SPE00100009 |
Replicates: |
2 |
Raw OD Value: r im |
0.5931±0.034224 |
Normalized OD Score: sc h |
1.0169±0.00192982 |
Z-Score: |
0.5750±0.027179 |
p-Value: |
0.56538 |
Z-Factor: |
-37.5268 |
Fitness Defect: |
0.5703 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SpectrumTMP | Plate Number and Position: | 2|E9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 595 nm | Robot Temperature: | 22.50 Celcius | Date: | 2006-11-29 YYYY-MM-DD | Plate CH Control (+): | 0.039150000000000004±0.00200 | Plate DMSO Control (-): | 0.60635±0.04215 | Plate Z-Factor: | 0.7720 |
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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 | |
active | Cluster 11451 | Additional Members: 4 | Rows returned: 0 | |
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