| Compound Information | SONAR Target prediction | | Name: | Fipexide hydrochloride | | Unique Identifier: | Prest601 | | 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 |
| Species: |
9606 |
| Condition: |
TMPPre003 |
| Replicates: |
2 |
| Raw OD Value: r im |
17810.0000±0 |
| Normalized OD Score: sc h |
0.9873±0 |
| Z-Score: |
-0.3538±0 |
| p-Value: |
0.72352 |
| Z-Factor: |
-53.9884 |
| Fitness Defect: |
0.3236 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 4|F9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 23.70 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 18451.5±2414.05033 | | Plate DMSO Control (-): | 18390±2336.55654 | | Plate Z-Factor: | -30.8248 |
|  png
ps
pdf |
| 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 | |
| nonactive | Cluster 5376 | Additional Members: 64 | Rows returned: 2 | |
|
