| Compound Information | SONAR Target prediction | | Name: | DIHYDRO-beta-TUBAIC ACID | | Unique Identifier: | SPE00211531 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C13H16O4 | | Molecular Weight: | 220.137 g/mol | | X log p: | 3.884 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 35.53 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | COc1c2CCC(C)(C)Oc2ccc1C(O)=O | | Source: | derivative ex mundulone |
| Species: |
4932 |
| Condition: |
IDH2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5584±0.00494975 |
| Normalized OD Score: sc h |
0.9925±0.000404337 |
| Z-Score: |
-0.3754±0.0294376 |
| p-Value: |
0.707442 |
| Z-Factor: |
-16.2091 |
| Fitness Defect: |
0.3461 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|F8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.90 Celcius | | Date: | 2007-10-19 YYYY-MM-DD | | Plate CH Control (+): | 0.040625±0.00072 | | Plate DMSO Control (-): | 0.5622±0.04923 | | Plate Z-Factor: | 0.6809 |
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| DBLink | Rows returned: 1 | |
| 3548249 |
5-methoxy-2,2-dimethyl-chroman-6-carboxylic acid |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 8617 | Additional Members: 1 | Rows returned: 0 | |
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