| Compound Information | SONAR Target prediction | | Name: | 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(trifluoromethyl)phenyl]tetrahydro
-1(2H)-pyrazinecarboxamide | | Unique Identifier: | HTS 03696 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C20H20N3O3F3 | | Molecular Weight: | 387.228 g/mol | | X log p: | 16.287 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 42.01 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 6 | | Rotatable Bond Count: | 6 | | Canonical Smiles: | FC(F)(F)c1ccc(NC(=O)N2CCN(CC2)Cc2ccc3OCOc3c2)cc1 |
| Species: |
4932 |
| Condition: |
MKK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8050±0.0296985 |
| Normalized OD Score: sc h |
0.8636±0.0649874 |
| Z-Score: |
-1.0098±0.596368 |
| p-Value: |
0.354378 |
| Z-Factor: |
-1.17432 |
| Fitness Defect: |
1.0374 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Cytotoxic | | Plate Number and Position: | 4|H7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2010-08-10 YYYY-MM-DD | | Plate CH Control (+): | 0.094±0.00342 | | Plate DMSO Control (-): | 0.9905±0.02820 | | Plate Z-Factor: | 0.9044 |
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| DBLink | Rows returned: 2 | |
| 2811369 |
4-(benzo[1,3]dioxol-5-ylmethyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide |
| 7189398 |
4-(benzo[1,3]dioxol-5-ylmethyl)-N-[4-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydropyrazine-1-carboxamide |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 5376 | Additional Members: 64 | Rows returned: 1 | |
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