| Compound Information | SONAR Target prediction | | Name: | Nifurtimox | | Unique Identifier: | Prest1264 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C10H13N3O5S | | Molecular Weight: | 274.19 g/mol | | X log p: | 6.052 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 110.49 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 3 | | Canonical Smiles: | [O-][N+](=O)c1oc(cc1)C=NN1CCS(=O)(=O)CC1C |
| Species: |
9606 |
| Condition: |
TMPPre003 |
| Replicates: |
2 |
| Raw OD Value: r im |
11731.0000±0 |
| Normalized OD Score: sc h |
0.9963±0 |
| Z-Score: |
-0.1038±0 |
| p-Value: |
0.917338 |
| Z-Factor: |
-6.02724 |
| Fitness Defect: |
0.0863 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 13|G5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 23.50 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 22091.5±7532.35178 | | Plate DMSO Control (-): | 12139.5±7461.51552 | | Plate Z-Factor: | -5.4357 |
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| DBLink | Rows returned: 4 | |
| 31772 |
N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitro-2-furyl)methanimine |
| 6178305 |
N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitro-2-furyl)methanimine |
| 6604371 |
N-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]-1-(5-nitro-2-furyl)methanimine |
| 6842999 |
N-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(5-nitro-2-furyl)methanimine |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 14486 | Additional Members: 6 | Rows returned: 2 | |
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