| Compound Information | SONAR Target prediction | | Name: | SAFROLE | | Unique Identifier: | SPE01503620 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 152.106 g/mol | | X log p: | 9.158 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 18.46 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | C=CCc1ccc2OCOc2c1 | | Class: | aromatic | | Source: | sassafras officinale | | Reference: | J Org Chem 13: 448 (1948) | | Therapeutics: | anesthetic (topical) and antiseptic, pediculicide |
| Species: |
4932 |
| Condition: |
IDH2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5858±0.00183848 |
| Normalized OD Score: sc h |
0.9872±0.00313101 |
| Z-Score: |
-0.6378±0.141246 |
| p-Value: |
0.525644 |
| Z-Factor: |
-6.01576 |
| Fitness Defect: |
0.6431 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 9|F3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.80 Celcius | | Date: | 2007-10-19 YYYY-MM-DD | | Plate CH Control (+): | 0.04075±0.00052 | | Plate DMSO Control (-): | 0.57975±0.01611 | | Plate Z-Factor: | 0.9112 |
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| DBLink | Rows returned: 2 | |
| 5144 |
5-prop-2-enylbenzo[1,3]dioxole |
| 15977988 |
magnesium 5-prop-2-enylbenzo[1,3]dioxole bromide |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 17530 | Additional Members: 12 | Rows returned: 0 | |
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