| 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: |
SPE01503222 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6944±0.0234052 |
| Normalized OD Score: sc h |
1.0050±0.018865 |
| Z-Score: |
0.2550±0.867995 |
| p-Value: |
0.552376 |
| Z-Factor: |
-21.12 |
| Fitness Defect: |
0.5935 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SpectrumTMP | | Plate Number and Position: | 2|E9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 22.60 Celcius | | Date: | 2006-11-29 YYYY-MM-DD | | Plate CH Control (+): | 0.039375±0.00246 | | Plate DMSO Control (-): | 0.69725±0.02031 | | Plate Z-Factor: | 0.9053 |
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ps
pdf |
| 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 | |
|
