Compound Information | SONAR 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 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 |
Species: |
9606 |
Condition: |
TMPPre002 |
Replicates: |
2 |
Raw OD Value: r im |
6845.5000±0 |
Normalized OD Score: sc h |
1.0464±0 |
Z-Score: |
1.0459±0 |
p-Value: |
0.295606 |
Z-Factor: |
-72.0283 |
Fitness Defect: |
1.2187 |
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 (+): | 853.5±701.09504 | Plate DMSO Control (-): | 849±311.18603 | Plate Z-Factor: | -72.3031 |
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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: 0 | |
active | Cluster 11451 | Additional Members: 4 | Rows returned: 1 | |
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