| Compound Information | SONAR Target prediction | | Name: | FRAXIDIN METHYL ETHER | | Unique Identifier: | SPE00100572 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 224.125 g/mol | | X log p: | 7.438 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 53.99 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 3 | | Canonical Smiles: | COc1cc2C=CC(=O)Oc2c(OC)c1OC | | Class: | coumarin | | Source: | derivative |
| Species: |
4932 |
| Condition: |
IDH2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5943±0.00183848 |
| Normalized OD Score: sc h |
1.0306±0.0076862 |
| Z-Score: |
1.5395±0.422699 |
| p-Value: |
0.140386 |
| Z-Factor: |
-8.10848 |
| Fitness Defect: |
1.9634 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 2|D3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.60 Celcius | | Date: | 2007-10-19 YYYY-MM-DD | | Plate CH Control (+): | 0.04115±0.00091 | | Plate DMSO Control (-): | 0.56735±0.09656 | | Plate Z-Factor: | 0.4260 |
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ps
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| DBLink | Rows returned: 2 | |
| 3083928 |
6,7,8-trimethoxychromen-2-one |
| 5518297 |
5-hydroxy-7,8-dimethoxy-chromen-2-one |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 2974 | Additional Members: 2 | Rows returned: 1 | |
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