| Compound Information | SONAR Target prediction | | Name: | 2,3,29-TRIACETOXY-24-NOR-1,3,5,7-FRIEDELATETRAENE | | Unique Identifier: | SPE01504238 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C35H48O6 | | Molecular Weight: | 516.371 g/mol | | X log p: | 4.721 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 78.9 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 6 | | Rotatable Bond Count: | 7 | | Canonical Smiles: | CC(=O)OCC1(C)CCC2(C)CCC3(C)C4=CCc5c(C)c(OC(C)=O)c(OC(C)=O)cc5C4(C)CCC3
(C)C2C1 | | Source: | derivative of celastrol |
| Species: |
4932 |
| Condition: |
MET16 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6637±0.00240416 |
| Normalized OD Score: sc h |
0.9997±0.00874786 |
| Z-Score: |
-0.0186±0.442357 |
| p-Value: |
0.754478 |
| Z-Factor: |
-52.7692 |
| Fitness Defect: |
0.2817 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 7|F11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.10 Celcius | | Date: | 2007-10-18 YYYY-MM-DD | | Plate CH Control (+): | 0.040275000000000005±0.00028 | | Plate DMSO Control (-): | 0.656375±0.01662 | | Plate Z-Factor: | 0.9155 |
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ps
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| DBLink | Rows returned: 1 | |
| 6708737 |
[(2R,4aR,6aS,6aR,14aS)-10,11-diacetyloxy-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-pi
cen-2-yl]methyl acetate |
| internal high similarity DBLink | Rows returned: 0 | |
| nonactive | Cluster 3682 | Additional Members: 3 | Rows returned: 2 | |
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