| Compound Information | SONAR Target prediction | | Name: | FIPEXIDE HYDROCHLORIDE | | Unique Identifier: | SPE01503222 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C20Cl2H22N2O4 | | Molecular Weight: | 403.13 g/mol | | X log p: | 16.306 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 51.24 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 6 | | Rotatable Bond Count: | 6 | | Canonical Smiles: | Cl.Clc1ccc(OCC(=O)N2CCN(CC2)Cc2ccc3OCOc3c2)cc1 | | Therapeutics: | psychostimulant |
| Species: |
4932 |
| Condition: |
SPE00201539 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5746±0.00183848 |
| Normalized OD Score: sc h |
1.0203±0.0584726 |
| Z-Score: |
0.4470±1.38644 |
| p-Value: |
0.373626 |
| Z-Factor: |
-14.4804 |
| Fitness Defect: |
0.9845 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SpectrumTMP | | Plate Number and Position: | 2|F4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 22.50 Celcius | | Date: | 2006-11-29 YYYY-MM-DD | | Plate CH Control (+): | 0.042525±0.00210 | | Plate DMSO Control (-): | 0.4744±0.11919 | | Plate Z-Factor: | 0.1905 |
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| DBLink | Rows returned: 3 | |
| 3351 |
1-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone |
| 161803 |
1-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone hydrochloride |
| 6957679 |
1-[4-(benzo[1,3]dioxol-5-ylmethyl)-2,3,5,6-tetrahydropyrazin-1-yl]-2-(4-chlorophenoxy)ethanone |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 5376 | Additional Members: 64 | Rows returned: 1 | |
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