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: |
DEP1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6045±0.00254558 |
Normalized OD Score: sc h |
0.8629±0.0153055 |
Z-Score: |
-6.1718±1.28446 |
p-Value: |
0.000000070646 |
Z-Factor: |
0.224578 |
Fitness Defect: |
16.4656 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 9|F3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.40 Celcius | Date: | 2005-12-22 YYYY-MM-DD | Plate CH Control (+): | 0.039325±0.00366 | Plate DMSO Control (-): | 0.68845±0.01406 | Plate Z-Factor: | 0.9070 |
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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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