Compound Information | SONAR Target prediction | Name: | PSEUDOBAPTIGENIN | Unique Identifier: | SPE01600568 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 272.168 g/mol | X log p: | 15.443 (online calculus) | Lipinksi Failures | 1 | TPSA | 44.76 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 5 | Rotatable Bond Count: | 1 | Canonical Smiles: | Oc1ccc2C(=O)C(=COc2c1)c1ccc2OCOc2c1 | Source: | Baptisia, Cladrastis, Dalbergia & Trifolium spp; also Maackia, Pisum, Pterocarpus spp | Reference: | J Chem Soc 1953: 1582 |
Species: |
4932 |
Condition: |
CCR4 |
Replicates: |
2 |
Raw OD Value: r im |
0.6693±0.00579828 |
Normalized OD Score: sc h |
0.9941±0.00337464 |
Z-Score: |
-0.2529±0.139198 |
p-Value: |
0.80128 |
Z-Factor: |
-25.1141 |
Fitness Defect: |
0.2215 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 24|E6 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 28.90 Celcius | Date: | 2008-04-16 YYYY-MM-DD | Plate CH Control (+): | 0.041675000000000004±0.00045 | Plate DMSO Control (-): | 0.647525±0.02012 | Plate Z-Factor: | 0.8782 |
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DBLink | Rows returned: 1 | |
5281805 |
3-benzo[1,3]dioxol-5-yl-7-hydroxy-chromen-4-one |
internal high similarity DBLink | Rows returned: 2 | |
active | Cluster 8155 | Additional Members: 16 | Rows returned: 3 | |
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